REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2hld_1_S DATA FIRST_RESID 27 DATA SEQUENCE LNETGRVLAV GDGIARVFGL NNIQAEELVE FSSGVKGMAL NLEPGQVGIV DATA SEQUENCE LFGSDRLVKE GELVKRTGNI VDVPVGPGLL GRVVDALGNP IDGKGPIDAA DATA SEQUENCE GRSRAQVKAP GILPRRSVHE PVQTGLKAVD ALVPIGRGQR ELIIGDRQTG DATA SEQUENCE KTAVALDTIL NQKRWNNGSD ESKKLYCVYV AVGQKRSTVA QLVQTLEQHD DATA SEQUENCE AMKYSIIVAA TASEAAPLQY LAPFTAASIG EWFRDNGKHA LIVYDDLSKQ DATA SEQUENCE AVAYRQLSLL LRRPPGREAY PGDVFYLHSR LLERAAKLSE KEGSGSLTAL DATA SEQUENCE PVIETQGGDV SAYIPTNVIS ITDGQIFLEA ELFYKGIRPA INVGLSVSRV DATA SEQUENCE GSAAQVKALK QVAGSLKLFL AQYREVAAFA QXXXDLDAST KQTLVRGERL DATA SEQUENCE TQLLKQNQYS PLATEEQVPL IYAGVNGHLD GIELSRIGEF ESSFLSYLKS DATA SEQUENCE NHNELLTEIR EKGELSKELL ASLKSATESF VAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 L HA 0.000 nan 4.340 nan 0.000 0.249 27 L C 0.000 176.817 176.870 -0.089 0.000 1.165 27 L CA 0.000 54.804 54.840 -0.059 0.000 0.813 27 L CB 0.000 42.025 42.059 -0.056 0.000 0.961 28 N N 0.002 118.663 118.700 -0.065 0.000 2.460 28 N HA 0.091 4.831 4.740 0.000 0.000 0.193 28 N C 1.106 176.579 175.510 -0.063 0.000 1.080 28 N CA 0.737 53.747 53.050 -0.065 0.000 0.869 28 N CB 0.758 39.215 38.487 -0.049 0.000 1.201 28 N HN 0.244 nan 8.380 nan 0.000 0.457 29 E N 0.209 120.376 120.200 -0.056 0.000 2.514 29 E HA 0.104 4.454 4.350 0.000 0.000 0.215 29 E C 0.392 176.952 176.600 -0.067 0.000 0.946 29 E CA 0.295 56.661 56.400 -0.056 0.000 1.038 29 E CB 1.038 30.712 29.700 -0.043 0.000 1.069 29 E HN 0.291 nan 8.360 nan 0.000 0.503 30 T N -1.672 112.843 114.554 -0.065 0.000 2.926 30 T HA 0.793 5.143 4.350 0.000 0.000 0.289 30 T C 0.303 174.961 174.700 -0.070 0.000 1.054 30 T CA -0.781 61.279 62.100 -0.067 0.000 1.015 30 T CB 2.549 71.393 68.868 -0.040 0.000 1.167 30 T HN 0.001 nan 8.240 nan 0.000 0.526 31 G N 0.137 108.897 108.800 -0.067 0.000 2.696 31 G HA2 0.606 4.566 3.960 0.000 0.000 0.295 31 G HA3 0.606 4.566 3.960 0.000 0.000 0.295 31 G C -1.644 173.265 174.900 0.014 0.000 1.398 31 G CA -1.007 44.072 45.100 -0.034 0.000 0.920 31 G HN 0.620 nan 8.290 nan 0.000 0.492 32 R N -0.162 120.398 120.500 0.099 0.000 2.460 32 R HA 0.576 4.916 4.340 0.000 0.000 0.303 32 R C -0.080 176.292 176.300 0.119 0.000 0.968 32 R CA -0.916 55.249 56.100 0.107 0.000 0.889 32 R CB 1.678 32.057 30.300 0.130 0.000 1.123 32 R HN 0.327 nan 8.270 nan 0.000 0.455 33 V N 6.032 126.011 119.914 0.108 0.000 2.439 33 V HA 0.031 4.151 4.120 0.000 0.000 0.271 33 V C 1.651 177.796 176.094 0.085 0.000 1.040 33 V CA 0.173 62.548 62.300 0.125 0.000 1.002 33 V CB 0.525 32.441 31.823 0.155 0.000 1.000 33 V HN 0.703 nan 8.190 nan 0.000 0.477 34 L N 4.139 125.414 121.223 0.087 0.000 2.049 34 L HA 0.256 4.596 4.340 0.000 0.000 0.203 34 L C 1.052 177.942 176.870 0.034 0.000 1.074 34 L CA 1.537 56.407 54.840 0.049 0.000 0.749 34 L CB -0.009 42.087 42.059 0.062 0.000 0.907 34 L HN 0.785 nan 8.230 nan 0.000 0.439 35 A N -1.309 121.538 122.820 0.044 0.000 2.606 35 A HA 0.651 4.971 4.320 0.000 0.000 0.293 35 A C -1.683 175.919 177.584 0.029 0.000 1.082 35 A CA -0.363 51.691 52.037 0.027 0.000 0.685 35 A CB 2.095 21.105 19.000 0.017 0.000 1.284 35 A HN -0.174 nan 8.150 nan 0.000 0.408 36 V N 0.210 120.130 119.914 0.010 0.000 2.851 36 V HA 0.907 5.027 4.120 0.000 0.000 0.307 36 V C -0.201 175.881 176.094 -0.020 0.000 1.129 36 V CA 0.835 63.130 62.300 -0.009 0.000 0.932 36 V CB 1.911 33.717 31.823 -0.028 0.000 1.024 36 V HN 2.340 nan 8.190 nan 0.000 0.426 37 G N 3.275 112.060 108.800 -0.025 0.000 2.411 37 G HA2 0.504 4.464 3.960 0.000 0.000 0.295 37 G HA3 0.504 4.464 3.960 0.000 0.000 0.295 37 G C -0.854 174.031 174.900 -0.024 0.000 1.542 37 G CA 0.127 45.213 45.100 -0.024 0.000 0.814 37 G HN 0.911 nan 8.290 nan 0.000 0.557 38 D N -0.747 119.640 120.400 -0.022 0.000 2.837 38 D HA -0.170 4.470 4.640 0.000 0.000 0.230 38 D C 1.630 177.920 176.300 -0.017 0.000 1.152 38 D CA 2.839 56.828 54.000 -0.018 0.000 0.736 38 D CB -1.243 39.546 40.800 -0.018 0.000 1.084 38 D HN 2.300 nan 8.370 nan 0.000 0.429 39 G N -1.126 107.660 108.800 -0.024 0.000 2.148 39 G HA2 -0.296 3.664 3.960 0.000 0.000 0.254 39 G HA3 -0.296 3.664 3.960 0.000 0.000 0.254 39 G C 0.164 175.050 174.900 -0.023 0.000 0.981 39 G CA 0.398 45.485 45.100 -0.021 0.000 0.670 39 G HN 0.482 nan 8.290 nan 0.000 0.528 40 I N 0.650 121.204 120.570 -0.026 0.000 2.433 40 I HA 0.740 4.910 4.170 0.000 0.000 0.292 40 I C 0.361 176.472 176.117 -0.010 0.000 1.001 40 I CA -1.084 60.208 61.300 -0.013 0.000 1.119 40 I CB 1.506 39.500 38.000 -0.010 0.000 1.289 40 I HN 0.375 nan 8.210 nan 0.000 0.438 41 A N 7.014 129.850 122.820 0.026 0.000 2.330 41 A HA 0.723 5.043 4.320 0.000 0.000 0.313 41 A C -0.283 177.362 177.584 0.102 0.000 1.124 41 A CA -0.748 51.333 52.037 0.073 0.000 0.774 41 A CB 1.019 20.101 19.000 0.137 0.000 1.198 41 A HN 0.697 nan 8.150 nan 0.000 0.465 42 R N 1.400 121.949 120.500 0.082 0.000 2.229 42 R HA 0.532 4.872 4.340 0.000 0.000 0.328 42 R C -1.152 175.208 176.300 0.101 0.000 1.009 42 R CA -0.284 55.862 56.100 0.076 0.000 0.864 42 R CB 1.522 31.855 30.300 0.056 0.000 1.085 42 R HN 0.442 nan 8.270 nan 0.000 0.453 43 V N 4.818 124.789 119.914 0.094 0.000 2.487 43 V HA 0.285 4.405 4.120 0.000 0.000 0.298 43 V C -0.502 175.661 176.094 0.115 0.000 1.028 43 V CA -0.878 61.481 62.300 0.098 0.000 0.860 43 V CB 1.437 33.283 31.823 0.039 0.000 0.991 43 V HN 0.546 nan 8.190 nan 0.000 0.427 44 F N 4.233 124.180 119.950 -0.005 0.000 2.429 44 F HA 0.673 5.200 4.527 0.000 0.000 0.348 44 F C 1.049 176.837 175.800 -0.021 0.000 1.109 44 F CA 1.607 59.600 58.000 -0.010 0.000 1.232 44 F CB 0.957 39.954 39.000 -0.006 0.000 1.157 44 F HN 0.913 nan 8.300 nan 0.000 0.564 45 G N 4.133 112.514 108.800 -0.699 0.000 2.498 45 G HA2 -0.253 3.707 3.960 0.000 0.000 0.251 45 G HA3 -0.253 3.707 3.960 0.000 0.000 0.251 45 G C 0.230 174.982 174.900 -0.246 0.000 1.170 45 G CA -0.303 44.518 45.100 -0.466 0.000 0.944 45 G HN 1.422 nan 8.290 nan 0.000 0.567 46 L N -0.441 120.683 121.223 -0.164 0.000 3.678 46 L HA -0.225 4.115 4.340 0.000 0.000 0.425 46 L C 1.571 178.371 176.870 -0.117 0.000 1.240 46 L CA 0.584 55.349 54.840 -0.124 0.000 0.876 46 L CB -1.383 40.608 42.059 -0.114 0.000 1.766 46 L HN 0.635 nan 8.230 nan 0.000 0.917 47 N N 0.200 118.822 118.700 -0.130 0.000 2.272 47 N HA -0.108 4.633 4.740 0.000 0.000 0.185 47 N C 1.218 176.682 175.510 -0.078 0.000 1.014 47 N CA 1.329 54.311 53.050 -0.114 0.000 0.870 47 N CB -0.137 38.279 38.487 -0.119 0.000 0.975 47 N HN 0.525 nan 8.380 nan 0.000 0.433 48 N N 0.309 118.969 118.700 -0.068 0.000 2.235 48 N HA 0.140 4.880 4.740 0.000 0.000 0.209 48 N C 0.175 175.657 175.510 -0.045 0.000 1.122 48 N CA -0.145 52.875 53.050 -0.050 0.000 0.845 48 N CB 0.754 39.215 38.487 -0.043 0.000 1.004 48 N HN 0.304 nan 8.380 nan 0.000 0.499 49 I N 0.998 121.537 120.570 -0.053 0.000 2.779 49 I HA -0.034 4.136 4.170 0.000 0.000 0.285 49 I C 0.138 176.236 176.117 -0.032 0.000 1.134 49 I CA -0.225 61.047 61.300 -0.046 0.000 1.398 49 I CB 0.737 38.702 38.000 -0.058 0.000 1.404 49 I HN 0.005 nan 8.210 nan 0.000 0.587 50 Q N 4.966 124.753 119.800 -0.022 0.000 2.222 50 Q HA 0.525 4.865 4.340 0.000 0.000 0.252 50 Q C -0.325 175.673 176.000 -0.003 0.000 0.926 50 Q CA -0.954 54.843 55.803 -0.010 0.000 0.899 50 Q CB 1.503 30.238 28.738 -0.004 0.000 1.250 50 Q HN 0.759 nan 8.270 nan 0.000 0.441 51 A N 2.082 124.905 122.820 0.005 0.000 2.524 51 A HA 0.046 4.366 4.320 0.000 0.000 0.250 51 A C 0.121 177.720 177.584 0.026 0.000 1.078 51 A CA 0.294 52.340 52.037 0.016 0.000 0.761 51 A CB -0.267 18.747 19.000 0.023 0.000 1.012 51 A HN 0.975 nan 8.150 nan 0.000 0.500 52 E N -0.469 119.753 120.200 0.037 0.000 3.413 52 E HA -0.190 4.160 4.350 0.000 0.000 0.300 52 E C 0.120 176.751 176.600 0.053 0.000 0.891 52 E CA 1.166 57.602 56.400 0.059 0.000 1.050 52 E CB -1.337 28.399 29.700 0.061 0.000 1.534 52 E HN 0.923 nan 8.360 nan 0.000 0.436 53 E N 0.998 121.215 120.200 0.028 0.000 2.331 53 E HA 0.298 4.648 4.350 0.000 0.000 0.272 53 E C -0.329 176.277 176.600 0.009 0.000 1.036 53 E CA -0.598 55.812 56.400 0.017 0.000 0.864 53 E CB 0.747 30.444 29.700 -0.004 0.000 1.035 53 E HN 0.061 nan 8.360 nan 0.000 0.408 54 L N 4.951 126.186 121.223 0.019 0.000 2.426 54 L HA 0.150 4.490 4.340 0.000 0.000 0.271 54 L C -0.470 176.368 176.870 -0.052 0.000 1.169 54 L CA 0.225 55.065 54.840 -0.001 0.000 0.836 54 L CB 1.171 43.264 42.059 0.056 0.000 1.112 54 L HN 0.426 nan 8.230 nan 0.000 0.465 55 V N 1.090 120.942 119.914 -0.103 0.000 3.102 55 V HA 0.722 4.842 4.120 0.000 0.000 0.312 55 V C -0.891 175.123 176.094 -0.133 0.000 1.135 55 V CA -0.834 61.374 62.300 -0.155 0.000 1.022 55 V CB 1.889 33.554 31.823 -0.264 0.000 1.056 55 V HN 0.834 nan 8.190 nan 0.000 0.436 56 E N 0.927 121.016 120.200 -0.185 0.000 2.260 56 E HA 0.543 4.893 4.350 0.000 0.000 0.266 56 E C -1.864 174.649 176.600 -0.145 0.000 0.887 56 E CA -0.597 55.765 56.400 -0.063 0.000 0.777 56 E CB 1.713 31.402 29.700 -0.018 0.000 1.205 56 E HN 0.624 nan 8.360 nan 0.000 0.414 57 F N 1.507 121.441 119.950 -0.027 0.000 2.370 57 F HA 0.198 4.725 4.527 0.000 0.000 0.319 57 F C 1.855 177.652 175.800 -0.005 0.000 1.129 57 F CA -0.291 57.700 58.000 -0.016 0.000 1.109 57 F CB 1.375 40.364 39.000 -0.019 0.000 1.262 57 F HN 0.477 nan 8.300 nan 0.000 0.534 58 S N 0.116 115.924 115.700 0.181 0.000 2.387 58 S HA -0.221 4.249 4.470 0.000 0.000 0.230 58 S C 2.146 176.804 174.600 0.096 0.000 1.035 58 S CA 1.751 60.013 58.200 0.103 0.000 1.014 58 S CB -0.525 62.724 63.200 0.083 0.000 0.836 58 S HN 0.744 nan 8.310 nan 0.000 0.466 59 S N 0.079 115.848 115.700 0.115 0.000 2.453 59 S HA 0.272 4.742 4.470 0.000 0.000 0.231 59 S C 1.624 176.265 174.600 0.068 0.000 1.005 59 S CA 1.059 59.302 58.200 0.071 0.000 0.949 59 S CB -0.053 63.173 63.200 0.043 0.000 0.774 59 S HN 0.777 nan 8.310 nan 0.000 0.510 60 G N 0.008 108.866 108.800 0.098 0.000 2.380 60 G HA2 -0.187 3.773 3.960 0.000 0.000 0.197 60 G HA3 -0.187 3.773 3.960 0.000 0.000 0.197 60 G C 0.091 175.053 174.900 0.103 0.000 1.001 60 G CA -0.153 44.999 45.100 0.087 0.000 0.668 60 G HN 0.793 nan 8.290 nan 0.000 0.483 61 V N 2.065 122.036 119.914 0.095 0.000 2.811 61 V HA 0.548 4.668 4.120 0.000 0.000 0.302 61 V C 0.597 176.794 176.094 0.171 0.000 1.063 61 V CA 0.310 62.659 62.300 0.081 0.000 1.088 61 V CB 1.121 32.922 31.823 -0.036 0.000 0.982 61 V HN 0.353 nan 8.190 nan 0.000 0.485 62 K N 3.708 124.187 120.400 0.132 0.000 2.245 62 K HA 0.865 5.185 4.320 0.000 0.000 0.234 62 K C -0.116 176.327 176.600 -0.262 0.000 1.021 62 K CA -0.206 56.112 56.287 0.052 0.000 0.898 62 K CB 1.874 34.430 32.500 0.093 0.000 1.163 62 K HN 0.954 nan 8.250 nan 0.000 0.459 63 G N 0.333 108.814 108.800 -0.532 0.000 2.523 63 G HA2 0.429 4.389 3.960 0.000 0.000 0.291 63 G HA3 0.429 4.389 3.960 0.000 0.000 0.291 63 G C -1.477 173.095 174.900 -0.547 0.000 1.450 63 G CA -0.955 43.680 45.100 -0.774 0.000 0.790 63 G HN 0.535 nan 8.290 nan 0.000 0.496 64 M N -0.241 119.159 119.600 -0.334 0.000 2.602 64 M HA 0.851 5.331 4.480 0.000 0.000 0.312 64 M C -0.236 176.059 176.300 -0.008 0.000 1.181 64 M CA -1.132 54.122 55.300 -0.077 0.000 0.910 64 M CB 2.593 35.252 32.600 0.099 0.000 1.723 64 M HN 0.953 nan 8.290 nan 0.000 0.459 65 A N 3.066 125.888 122.820 0.002 0.000 2.506 65 A HA 0.527 4.847 4.320 0.000 0.000 0.320 65 A C 0.443 178.040 177.584 0.022 0.000 1.424 65 A CA -0.684 51.356 52.037 0.004 0.000 1.044 65 A CB -0.344 18.647 19.000 -0.016 0.000 1.140 65 A HN 1.021 nan 8.150 nan 0.000 0.538 66 L N 1.139 122.376 121.223 0.023 0.000 2.221 66 L HA 0.092 4.432 4.340 0.000 0.000 0.202 66 L C 0.242 177.121 176.870 0.015 0.000 1.074 66 L CA 0.455 55.309 54.840 0.024 0.000 0.795 66 L CB -0.010 42.051 42.059 0.004 0.000 0.960 66 L HN 0.561 nan 8.230 nan 0.000 0.458 67 N N 0.721 119.424 118.700 0.005 0.000 2.469 67 N HA 0.367 5.107 4.740 0.000 0.000 0.253 67 N C -1.079 174.432 175.510 0.002 0.000 0.970 67 N CA -0.052 53.000 53.050 0.003 0.000 0.940 67 N CB 1.086 39.572 38.487 -0.002 0.000 1.128 67 N HN 0.016 nan 8.380 nan 0.000 0.503 68 L N 2.018 123.241 121.223 0.001 0.000 2.272 68 L HA 0.427 4.767 4.340 0.000 0.000 0.284 68 L C 0.384 177.250 176.870 -0.007 0.000 1.045 68 L CA -0.418 54.417 54.840 -0.008 0.000 0.842 68 L CB 0.619 42.671 42.059 -0.012 0.000 1.224 68 L HN 0.365 nan 8.230 nan 0.000 0.430 69 E N 3.355 123.551 120.200 -0.006 0.000 2.232 69 E HA 0.303 4.653 4.350 0.000 0.000 0.264 69 E C -1.581 175.014 176.600 -0.007 0.000 0.973 69 E CA -1.743 54.657 56.400 -0.002 0.000 0.849 69 E CB 1.382 31.086 29.700 0.007 0.000 1.198 69 E HN 0.293 nan 8.360 nan 0.000 0.407 70 P HA -0.143 nan 4.420 nan 0.000 0.218 70 P C 0.528 177.825 177.300 -0.005 0.000 1.146 70 P CA 1.179 64.277 63.100 -0.004 0.000 0.820 70 P CB 0.249 31.953 31.700 0.007 0.000 0.778 71 G N -2.451 106.358 108.800 0.014 0.000 4.213 71 G HA2 0.212 4.172 3.960 0.000 0.000 0.274 71 G HA3 0.212 4.172 3.960 0.000 0.000 0.274 71 G C -0.262 174.671 174.900 0.056 0.000 1.033 71 G CA -0.185 44.937 45.100 0.037 0.000 0.822 71 G HN 0.416 nan 8.290 nan 0.000 0.432 72 Q N -1.013 118.799 119.800 0.020 0.000 2.633 72 Q HA 0.647 4.987 4.340 0.000 0.000 0.289 72 Q C -2.113 173.890 176.000 0.005 0.000 0.940 72 Q CA -0.965 54.863 55.803 0.042 0.000 0.785 72 Q CB 1.921 30.715 28.738 0.094 0.000 1.467 72 Q HN -0.057 nan 8.270 nan 0.000 0.401 73 V N 0.484 120.403 119.914 0.008 0.000 2.555 73 V HA 0.754 4.874 4.120 0.000 0.000 0.302 73 V C 0.103 176.209 176.094 0.021 0.000 1.038 73 V CA -0.293 62.007 62.300 -0.001 0.000 0.887 73 V CB 1.866 33.674 31.823 -0.024 0.000 0.991 73 V HN 0.862 nan 8.190 nan 0.000 0.434 74 G N 4.466 113.275 108.800 0.016 0.000 2.356 74 G HA2 0.655 4.615 3.960 0.000 0.000 0.312 74 G HA3 0.655 4.615 3.960 0.000 0.000 0.312 74 G C -0.775 174.141 174.900 0.026 0.000 1.096 74 G CA -0.235 44.878 45.100 0.022 0.000 0.950 74 G HN 0.586 nan 8.290 nan 0.000 0.428 75 I N 2.973 123.576 120.570 0.054 0.000 2.389 75 I HA 0.228 4.398 4.170 0.000 0.000 0.288 75 I C 0.328 176.480 176.117 0.057 0.000 0.999 75 I CA -1.088 60.254 61.300 0.070 0.000 1.129 75 I CB 2.198 40.283 38.000 0.143 0.000 1.288 75 I HN 0.369 nan 8.210 nan 0.000 0.444 76 V N 5.872 125.804 119.914 0.030 0.000 2.498 76 V HA 0.488 4.609 4.120 0.000 0.000 0.279 76 V C -0.094 176.005 176.094 0.008 0.000 1.048 76 V CA -0.554 61.765 62.300 0.032 0.000 0.967 76 V CB 0.964 32.824 31.823 0.061 0.000 0.988 76 V HN 0.505 nan 8.190 nan 0.000 0.473 77 L N 4.280 125.512 121.223 0.014 0.000 2.357 77 L HA 0.447 4.787 4.340 0.000 0.000 0.273 77 L C 0.686 177.678 176.870 0.204 0.000 1.080 77 L CA -0.544 54.280 54.840 -0.026 0.000 0.803 77 L CB 1.100 43.096 42.059 -0.106 0.000 1.174 77 L HN 0.582 nan 8.230 nan 0.000 0.443 78 F N 0.533 120.508 119.950 0.041 0.000 2.743 78 F HA 0.252 4.779 4.527 0.000 0.000 0.297 78 F C 1.240 177.056 175.800 0.027 0.000 1.131 78 F CA -0.454 57.577 58.000 0.052 0.000 1.426 78 F CB -0.240 38.803 39.000 0.071 0.000 1.116 78 F HN 0.474 nan 8.300 nan 0.000 0.583 79 G N -1.286 107.614 108.800 0.167 0.000 2.921 79 G HA2 0.350 4.311 3.960 0.000 0.000 0.291 79 G HA3 0.350 4.311 3.960 0.000 0.000 0.291 79 G C -0.957 173.957 174.900 0.022 0.000 1.370 79 G CA -0.614 44.536 45.100 0.084 0.000 0.847 79 G HN -0.113 nan 8.290 nan 0.000 0.532 80 S N -0.690 115.013 115.700 0.005 0.000 2.549 80 S HA 0.151 4.621 4.470 0.000 0.000 0.286 80 S C 1.202 175.768 174.600 -0.057 0.000 1.314 80 S CA 0.459 58.649 58.200 -0.016 0.000 1.062 80 S CB 0.557 63.752 63.200 -0.008 0.000 0.865 80 S HN 0.568 nan 8.310 nan 0.000 0.498 81 D N 3.540 123.900 120.400 -0.065 0.000 2.363 81 D HA -0.053 4.587 4.640 0.000 0.000 0.226 81 D C 1.633 177.884 176.300 -0.081 0.000 1.020 81 D CA 0.218 54.157 54.000 -0.102 0.000 0.892 81 D CB -0.117 40.629 40.800 -0.090 0.000 0.900 81 D HN 0.607 nan 8.370 nan 0.000 0.531 82 R N 0.541 121.009 120.500 -0.052 0.000 2.127 82 R HA -0.098 4.242 4.340 0.000 0.000 0.238 82 R C 1.596 177.872 176.300 -0.042 0.000 1.134 82 R CA 0.997 57.075 56.100 -0.037 0.000 0.975 82 R CB -0.288 29.999 30.300 -0.022 0.000 0.865 82 R HN 0.272 nan 8.270 nan 0.000 0.447 83 L N 0.281 121.470 121.223 -0.057 0.000 2.217 83 L HA 0.021 4.361 4.340 0.000 0.000 0.211 83 L C 0.377 177.207 176.870 -0.066 0.000 1.107 83 L CA 0.251 55.060 54.840 -0.052 0.000 0.783 83 L CB 0.175 42.202 42.059 -0.053 0.000 0.919 83 L HN -0.054 nan 8.230 nan 0.000 0.442 84 V N 0.280 120.125 119.914 -0.115 0.000 2.481 84 V HA 0.283 4.403 4.120 0.000 0.000 0.286 84 V C 0.006 176.071 176.094 -0.047 0.000 1.042 84 V CA -0.677 61.552 62.300 -0.118 0.000 0.928 84 V CB 1.532 33.172 31.823 -0.305 0.000 0.986 84 V HN 0.131 nan 8.190 nan 0.000 0.462 85 K N 2.145 122.547 120.400 0.003 0.000 2.400 85 K HA 0.457 4.777 4.320 0.000 0.000 0.246 85 K C -0.506 176.116 176.600 0.037 0.000 0.995 85 K CA -0.878 55.417 56.287 0.013 0.000 0.840 85 K CB 2.507 35.016 32.500 0.015 0.000 1.293 85 K HN 0.766 nan 8.250 nan 0.000 0.445 86 E N 0.314 120.530 120.200 0.026 0.000 2.376 86 E HA 0.070 4.420 4.350 0.000 0.000 0.266 86 E C 0.436 177.055 176.600 0.032 0.000 1.009 86 E CA 0.994 57.413 56.400 0.031 0.000 0.902 86 E CB 0.313 30.021 29.700 0.014 0.000 0.972 86 E HN 0.762 nan 8.360 nan 0.000 0.439 87 G N 3.812 112.636 108.800 0.041 0.000 2.241 87 G HA2 -0.333 3.627 3.960 0.000 0.000 0.244 87 G HA3 -0.333 3.627 3.960 0.000 0.000 0.244 87 G C 0.267 175.197 174.900 0.049 0.000 0.998 87 G CA 0.337 45.457 45.100 0.034 0.000 0.621 87 G HN 0.671 nan 8.290 nan 0.000 0.519 88 E N 0.428 120.669 120.200 0.068 0.000 2.415 88 E HA 0.368 4.718 4.350 0.000 0.000 0.262 88 E C 0.393 177.044 176.600 0.085 0.000 1.038 88 E CA -0.616 55.834 56.400 0.083 0.000 0.921 88 E CB 0.367 30.136 29.700 0.115 0.000 0.950 88 E HN 0.399 nan 8.360 nan 0.000 0.438 89 L N 4.553 125.812 121.223 0.059 0.000 2.397 89 L HA 0.239 4.579 4.340 0.000 0.000 0.271 89 L C -1.127 175.723 176.870 -0.033 0.000 1.148 89 L CA -0.112 54.738 54.840 0.017 0.000 0.825 89 L CB 1.281 43.345 42.059 0.009 0.000 1.117 89 L HN 0.314 nan 8.230 nan 0.000 0.456 90 V N 4.616 124.456 119.914 -0.122 0.000 2.588 90 V HA 0.500 4.620 4.120 0.000 0.000 0.304 90 V C -0.443 175.512 176.094 -0.233 0.000 1.042 90 V CA -0.917 61.191 62.300 -0.319 0.000 0.877 90 V CB 1.722 33.251 31.823 -0.490 0.000 0.996 90 V HN 0.697 nan 8.190 nan 0.000 0.425 91 K N 3.576 123.835 120.400 -0.236 0.000 2.221 91 K HA 0.630 4.950 4.320 0.000 0.000 0.258 91 K C -0.155 176.353 176.600 -0.153 0.000 0.944 91 K CA -0.863 55.335 56.287 -0.148 0.000 0.823 91 K CB 2.392 34.837 32.500 -0.092 0.000 1.113 91 K HN 0.557 nan 8.250 nan 0.000 0.431 92 R N 0.115 120.547 120.500 -0.112 0.000 2.905 92 R HA -0.002 4.338 4.340 0.000 0.000 0.273 92 R C 1.010 177.272 176.300 -0.063 0.000 1.033 92 R CA 0.725 56.772 56.100 -0.088 0.000 1.182 92 R CB 0.193 30.453 30.300 -0.066 0.000 1.097 92 R HN 0.843 nan 8.270 nan 0.000 0.504 93 T N -3.857 110.670 114.554 -0.044 0.000 3.041 93 T HA 0.185 4.535 4.350 0.000 0.000 0.276 93 T C 1.206 175.898 174.700 -0.013 0.000 0.948 93 T CA 0.223 62.310 62.100 -0.022 0.000 0.885 93 T CB 0.776 69.639 68.868 -0.007 0.000 1.175 93 T HN 0.814 nan 8.240 nan 0.000 0.529 94 G N 2.186 110.974 108.800 -0.019 0.000 2.175 94 G HA2 -0.248 3.712 3.960 0.000 0.000 0.265 94 G HA3 -0.248 3.712 3.960 0.000 0.000 0.265 94 G C -0.195 174.704 174.900 -0.002 0.000 0.979 94 G CA 0.165 45.258 45.100 -0.013 0.000 0.663 94 G HN 0.643 nan 8.290 nan 0.000 0.533 95 N N 0.514 119.217 118.700 0.004 0.000 2.392 95 N HA 0.463 5.203 4.740 0.000 0.000 0.283 95 N C 0.362 175.887 175.510 0.025 0.000 1.003 95 N CA -0.649 52.410 53.050 0.016 0.000 0.892 95 N CB 1.261 39.763 38.487 0.024 0.000 1.193 95 N HN 0.029 nan 8.380 nan 0.000 0.487 96 I N 1.712 122.297 120.570 0.024 0.000 2.648 96 I HA -0.001 4.169 4.170 0.000 0.000 0.284 96 I C 0.874 177.019 176.117 0.046 0.000 1.153 96 I CA -0.303 61.016 61.300 0.032 0.000 1.426 96 I CB 0.063 38.074 38.000 0.019 0.000 1.381 96 I HN 0.151 nan 8.210 nan 0.000 0.571 97 V N 6.936 126.891 119.914 0.069 0.000 2.583 97 V HA -0.058 4.062 4.120 0.000 0.000 0.302 97 V C 0.393 176.520 176.094 0.055 0.000 1.033 97 V CA 0.294 62.649 62.300 0.092 0.000 1.194 97 V CB -0.503 31.400 31.823 0.133 0.000 0.879 97 V HN 0.923 nan 8.190 nan 0.000 0.482 98 D N 4.001 124.434 120.400 0.055 0.000 2.732 98 D HA 0.745 5.385 4.640 0.000 0.000 0.292 98 D C -0.929 175.391 176.300 0.034 0.000 1.135 98 D CA -0.780 53.242 54.000 0.037 0.000 1.071 98 D CB 2.258 43.076 40.800 0.030 0.000 1.457 98 D HN 0.411 nan 8.370 nan 0.000 0.547 99 V N -0.474 119.454 119.914 0.024 0.000 3.077 99 V HA 0.488 4.608 4.120 0.000 0.000 0.299 99 V C -2.832 173.262 176.094 -0.001 0.000 1.276 99 V CA -1.811 60.497 62.300 0.013 0.000 0.993 99 V CB 2.475 34.308 31.823 0.016 0.000 1.076 99 V HN 0.606 nan 8.190 nan 0.000 0.434 100 P HA 0.305 nan 4.420 nan 0.000 0.268 100 P C -0.858 176.397 177.300 -0.076 0.000 1.205 100 P CA 0.347 63.419 63.100 -0.048 0.000 0.771 100 P CB 1.179 32.848 31.700 -0.053 0.000 0.858 101 V N -1.237 118.598 119.914 -0.133 0.000 3.130 101 V HA 1.015 5.135 4.120 0.000 0.000 0.310 101 V C -0.127 175.652 176.094 -0.525 0.000 1.158 101 V CA -0.265 61.897 62.300 -0.229 0.000 1.029 101 V CB 1.452 33.214 31.823 -0.100 0.000 1.057 101 V HN 1.012 nan 8.190 nan 0.000 0.436 102 G N 1.600 109.839 108.800 -0.935 0.000 2.353 102 G HA2 0.222 4.182 3.960 0.000 0.000 0.424 102 G HA3 0.222 4.182 3.960 0.000 0.000 0.424 102 G C -2.639 171.544 174.900 -1.195 0.000 1.320 102 G CA 0.033 44.157 45.100 -1.628 0.000 0.995 102 G HN 0.747 nan 8.290 nan 0.000 0.580 103 P HA 0.042 nan 4.420 nan 0.000 0.225 103 P C 1.878 179.020 177.300 -0.264 0.000 1.156 103 P CA 1.611 64.383 63.100 -0.546 0.000 0.787 103 P CB -0.148 31.330 31.700 -0.370 0.000 0.802 104 G N 0.471 109.098 108.800 -0.289 0.000 2.501 104 G HA2 -0.194 3.766 3.960 0.000 0.000 0.220 104 G HA3 -0.194 3.766 3.960 0.000 0.000 0.220 104 G C 1.455 176.288 174.900 -0.111 0.000 1.114 104 G CA 0.222 45.224 45.100 -0.163 0.000 0.757 104 G HN 0.270 nan 8.290 nan 0.000 0.559 105 L N -0.070 121.078 121.223 -0.124 0.000 2.492 105 L HA 0.270 4.610 4.340 0.000 0.000 0.223 105 L C 0.942 177.817 176.870 0.008 0.000 1.132 105 L CA -0.345 54.463 54.840 -0.054 0.000 0.850 105 L CB -0.050 41.978 42.059 -0.052 0.000 0.966 105 L HN 0.107 nan 8.230 nan 0.000 0.454 106 L N 0.221 121.460 121.223 0.027 0.000 2.490 106 L HA 0.120 4.460 4.340 0.000 0.000 0.274 106 L C 1.384 178.278 176.870 0.039 0.000 1.201 106 L CA 0.629 55.513 54.840 0.072 0.000 0.869 106 L CB 0.215 42.341 42.059 0.112 0.000 1.123 106 L HN 0.321 nan 8.230 nan 0.000 0.484 107 G N 1.896 110.713 108.800 0.028 0.000 2.153 107 G HA2 -0.222 3.738 3.960 0.000 0.000 0.252 107 G HA3 -0.222 3.738 3.960 0.000 0.000 0.252 107 G C 0.170 175.066 174.900 -0.006 0.000 0.994 107 G CA -0.272 44.825 45.100 -0.004 0.000 0.698 107 G HN 0.467 nan 8.290 nan 0.000 0.521 108 R N -0.752 119.750 120.500 0.004 0.000 2.778 108 R HA 0.702 5.042 4.340 0.000 0.000 0.277 108 R C -0.393 175.912 176.300 0.009 0.000 0.977 108 R CA -0.845 55.256 56.100 0.001 0.000 0.950 108 R CB 1.969 32.267 30.300 -0.003 0.000 1.165 108 R HN 0.192 nan 8.270 nan 0.000 0.474 109 V N 2.825 122.743 119.914 0.007 0.000 2.384 109 V HA 0.452 4.572 4.120 0.000 0.000 0.287 109 V C 0.187 176.289 176.094 0.013 0.000 1.020 109 V CA -0.741 61.569 62.300 0.015 0.000 0.850 109 V CB 1.565 33.396 31.823 0.013 0.000 0.987 109 V HN 0.596 nan 8.190 nan 0.000 0.436 110 V N 1.298 121.222 119.914 0.017 0.000 3.074 110 V HA 0.828 4.948 4.120 0.000 0.000 0.314 110 V C -0.337 175.763 176.094 0.009 0.000 1.117 110 V CA -0.861 61.445 62.300 0.010 0.000 1.014 110 V CB 2.086 33.912 31.823 0.005 0.000 1.057 110 V HN 0.783 nan 8.190 nan 0.000 0.438 111 D N 1.784 122.184 120.400 0.001 0.000 2.469 111 D HA 0.503 5.143 4.640 0.000 0.000 0.278 111 D C 1.219 177.505 176.300 -0.022 0.000 1.231 111 D CA 0.119 54.114 54.000 -0.009 0.000 1.075 111 D CB 0.762 41.554 40.800 -0.015 0.000 1.121 111 D HN 0.807 nan 8.370 nan 0.000 0.571 112 A N -0.979 121.812 122.820 -0.049 0.000 2.015 112 A HA 0.009 4.329 4.320 0.000 0.000 0.219 112 A C 2.091 179.635 177.584 -0.066 0.000 1.163 112 A CA 0.841 52.838 52.037 -0.066 0.000 0.646 112 A CB -0.767 18.166 19.000 -0.112 0.000 0.806 112 A HN 0.490 nan 8.150 nan 0.000 0.448 113 L N -1.232 119.951 121.223 -0.067 0.000 2.700 113 L HA 0.311 4.651 4.340 0.000 0.000 0.234 113 L C 1.361 178.225 176.870 -0.010 0.000 1.156 113 L CA 0.372 55.191 54.840 -0.036 0.000 0.946 113 L CB -0.033 42.008 42.059 -0.030 0.000 1.216 113 L HN 0.480 nan 8.230 nan 0.000 0.493 114 G N 0.271 109.064 108.800 -0.011 0.000 2.160 114 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 114 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 114 G C -0.057 174.840 174.900 -0.005 0.000 1.022 114 G CA -0.277 44.819 45.100 -0.007 0.000 0.741 114 G HN 0.405 nan 8.290 nan 0.000 0.508 115 N N 1.698 120.397 118.700 -0.002 0.000 2.444 115 N HA 0.362 5.102 4.740 0.000 0.000 0.271 115 N C -2.408 173.103 175.510 0.002 0.000 1.069 115 N CA -1.168 51.883 53.050 0.002 0.000 0.965 115 N CB 1.655 40.148 38.487 0.009 0.000 1.092 115 N HN 0.170 nan 8.380 nan 0.000 0.476 116 P HA 0.056 nan 4.420 nan 0.000 0.266 116 P C 0.552 177.854 177.300 0.004 0.000 1.215 116 P CA 0.078 63.178 63.100 0.000 0.000 0.763 116 P CB 0.343 32.041 31.700 -0.003 0.000 0.806 117 I N 0.159 120.733 120.570 0.005 0.000 4.025 117 I HA 0.166 4.336 4.170 0.000 0.000 0.336 117 I C 0.604 176.724 176.117 0.006 0.000 1.390 117 I CA -0.138 61.167 61.300 0.007 0.000 1.099 117 I CB -0.178 37.828 38.000 0.010 0.000 1.049 117 I HN 0.031 nan 8.210 nan 0.000 0.394 118 D N 1.257 121.659 120.400 0.003 0.000 2.340 118 D HA 0.112 4.752 4.640 0.000 0.000 0.220 118 D C 1.653 177.952 176.300 -0.001 0.000 1.039 118 D CA 0.483 54.483 54.000 0.000 0.000 0.866 118 D CB -0.152 40.646 40.800 -0.003 0.000 0.913 118 D HN 0.401 nan 8.370 nan 0.000 0.523 119 G N 0.843 109.643 108.800 0.000 0.000 2.249 119 G HA2 -0.369 3.591 3.960 0.000 0.000 0.273 119 G HA3 -0.369 3.591 3.960 0.000 0.000 0.273 119 G C 0.679 175.577 174.900 -0.002 0.000 1.036 119 G CA 0.492 45.592 45.100 -0.000 0.000 0.824 119 G HN 0.471 nan 8.290 nan 0.000 0.504 120 K N -0.285 120.113 120.400 -0.004 0.000 2.373 120 K HA 0.472 4.792 4.320 0.000 0.000 0.202 120 K C 1.338 177.934 176.600 -0.006 0.000 1.025 120 K CA 0.353 56.636 56.287 -0.006 0.000 1.115 120 K CB 0.707 33.203 32.500 -0.007 0.000 0.858 120 K HN 1.415 nan 8.250 nan 0.000 0.525 121 G N 2.143 110.940 108.800 -0.005 0.000 2.549 121 G HA2 -0.159 3.801 3.960 0.000 0.000 0.404 121 G HA3 -0.159 3.801 3.960 0.000 0.000 0.404 121 G C -2.915 171.980 174.900 -0.008 0.000 1.292 121 G CA -1.302 43.795 45.100 -0.006 0.000 0.935 121 G HN -0.059 nan 8.290 nan 0.000 0.512 122 P HA 0.491 nan 4.420 nan 0.000 0.272 122 P C 0.349 177.637 177.300 -0.021 0.000 1.223 122 P CA -0.559 62.532 63.100 -0.013 0.000 0.784 122 P CB 0.441 32.133 31.700 -0.013 0.000 0.923 123 I N 1.651 122.205 120.570 -0.027 0.000 2.581 123 I HA 0.136 4.306 4.170 0.000 0.000 0.288 123 I C 0.289 176.375 176.117 -0.052 0.000 1.047 123 I CA 0.058 61.333 61.300 -0.042 0.000 1.374 123 I CB 0.218 38.190 38.000 -0.047 0.000 1.423 123 I HN 0.248 nan 8.210 nan 0.000 0.549 124 D N 4.188 124.547 120.400 -0.069 0.000 2.373 124 D HA 0.504 5.144 4.640 0.000 0.000 0.227 124 D C -0.020 176.204 176.300 -0.127 0.000 1.091 124 D CA -0.026 53.924 54.000 -0.082 0.000 0.840 124 D CB 1.403 42.157 40.800 -0.075 0.000 1.060 124 D HN 0.631 nan 8.370 nan 0.000 0.502 125 A N 1.674 124.421 122.820 -0.120 0.000 2.303 125 A HA 0.634 4.954 4.320 0.000 0.000 0.317 125 A C 1.003 178.486 177.584 -0.169 0.000 1.149 125 A CA -0.404 51.535 52.037 -0.162 0.000 0.822 125 A CB 1.259 20.191 19.000 -0.114 0.000 1.131 125 A HN 0.554 nan 8.150 nan 0.000 0.493 126 A N 1.389 124.058 122.820 -0.252 0.000 2.081 126 A HA 0.530 4.850 4.320 0.000 0.000 0.214 126 A C 1.110 178.655 177.584 -0.065 0.000 1.158 126 A CA 1.391 53.325 52.037 -0.172 0.000 0.724 126 A CB -0.301 18.543 19.000 -0.259 0.000 0.826 126 A HN 2.186 nan 8.150 nan 0.000 0.463 127 G N -1.309 107.445 108.800 -0.076 0.000 2.340 127 G HA2 0.494 4.454 3.960 0.000 0.000 0.299 127 G HA3 0.494 4.454 3.960 0.000 0.000 0.299 127 G C -1.491 173.394 174.900 -0.026 0.000 1.291 127 G CA -1.028 44.061 45.100 -0.018 0.000 0.841 127 G HN 0.228 nan 8.290 nan 0.000 0.500 128 R N -0.384 120.116 120.500 0.000 0.000 2.670 128 R HA 0.772 5.112 4.340 0.000 0.000 0.289 128 R C -1.028 175.285 176.300 0.022 0.000 0.965 128 R CA -0.714 55.388 56.100 0.003 0.000 0.899 128 R CB 2.222 32.524 30.300 0.004 0.000 1.173 128 R HN 0.431 nan 8.270 nan 0.000 0.456 129 S N 1.317 117.032 115.700 0.026 0.000 2.526 129 S HA 0.426 4.896 4.470 0.000 0.000 0.293 129 S C -0.370 174.248 174.600 0.031 0.000 1.092 129 S CA -0.911 57.310 58.200 0.036 0.000 0.980 129 S CB 1.946 65.178 63.200 0.054 0.000 1.048 129 S HN 0.391 nan 8.310 nan 0.000 0.483 130 R N 0.809 121.325 120.500 0.026 0.000 2.679 130 R HA 0.198 4.538 4.340 0.000 0.000 0.268 130 R C 1.325 177.637 176.300 0.019 0.000 1.044 130 R CA 0.125 56.236 56.100 0.018 0.000 1.105 130 R CB 0.192 30.497 30.300 0.008 0.000 0.989 130 R HN 0.800 nan 8.270 nan 0.000 0.447 131 A N 2.728 125.553 122.820 0.008 0.000 1.969 131 A HA -0.098 4.222 4.320 0.000 0.000 0.218 131 A C 0.480 178.038 177.584 -0.045 0.000 1.169 131 A CA 1.152 53.192 52.037 0.006 0.000 0.635 131 A CB 0.165 19.155 19.000 -0.016 0.000 0.810 131 A HN 0.534 nan 8.150 nan 0.000 0.445 132 Q N 0.339 120.080 119.800 -0.098 0.000 2.368 132 Q HA 0.527 4.867 4.340 0.000 0.000 0.256 132 Q C -1.417 174.551 176.000 -0.054 0.000 0.980 132 Q CA -0.044 55.673 55.803 -0.144 0.000 0.887 132 Q CB 1.580 30.196 28.738 -0.203 0.000 1.221 132 Q HN 0.146 nan 8.270 nan 0.000 0.458 133 V N 2.970 122.870 119.914 -0.023 0.000 2.638 133 V HA 0.290 4.410 4.120 0.000 0.000 0.306 133 V C -0.071 176.030 176.094 0.011 0.000 1.052 133 V CA -1.182 61.121 62.300 0.005 0.000 0.885 133 V CB 2.244 34.083 31.823 0.027 0.000 0.999 133 V HN 0.501 nan 8.190 nan 0.000 0.424 134 K N 2.912 123.320 120.400 0.013 0.000 2.451 134 K HA 0.370 4.690 4.320 0.000 0.000 0.280 134 K C 0.422 177.037 176.600 0.026 0.000 1.020 134 K CA 0.201 56.501 56.287 0.022 0.000 1.008 134 K CB 0.935 33.449 32.500 0.023 0.000 0.917 134 K HN 0.901 nan 8.250 nan 0.000 0.478 135 A N 5.756 128.594 122.820 0.031 0.000 2.445 135 A HA 0.268 4.588 4.320 0.000 0.000 0.242 135 A C -1.915 175.684 177.584 0.026 0.000 1.075 135 A CA -1.081 50.974 52.037 0.031 0.000 0.777 135 A CB -0.503 18.517 19.000 0.033 0.000 1.013 135 A HN 0.420 nan 8.150 nan 0.000 0.493 136 P HA 0.150 nan 4.420 nan 0.000 0.261 136 P C 0.720 178.031 177.300 0.018 0.000 1.183 136 P CA 0.766 63.876 63.100 0.016 0.000 0.761 136 P CB 0.393 32.100 31.700 0.013 0.000 0.785 137 G N 2.577 111.386 108.800 0.016 0.000 2.570 137 G HA2 0.083 4.043 3.960 0.000 0.000 0.276 137 G HA3 0.083 4.043 3.960 0.000 0.000 0.276 137 G C 1.166 176.075 174.900 0.015 0.000 1.346 137 G CA -0.585 44.525 45.100 0.018 0.000 1.034 137 G HN 0.347 nan 8.290 nan 0.000 0.512 138 I N -0.667 119.912 120.570 0.015 0.000 2.163 138 I HA -0.128 4.042 4.170 0.000 0.000 0.243 138 I C 2.726 178.848 176.117 0.007 0.000 1.085 138 I CA 1.079 62.387 61.300 0.012 0.000 1.347 138 I CB -1.041 36.966 38.000 0.012 0.000 1.044 138 I HN 0.278 nan 8.210 nan 0.000 0.408 139 L N 1.796 123.023 121.223 0.006 0.000 2.005 139 L HA -0.032 4.308 4.340 0.000 0.000 0.207 139 L C -0.816 176.054 176.870 -0.000 0.000 1.072 139 L CA 1.859 56.700 54.840 0.002 0.000 0.744 139 L CB -1.702 40.357 42.059 0.001 0.000 0.895 139 L HN 0.139 nan 8.230 nan 0.000 0.433 140 P HA 0.064 nan 4.420 nan 0.000 0.246 140 P C -0.689 176.611 177.300 -0.000 0.000 1.686 140 P CA 0.329 63.428 63.100 -0.002 0.000 0.867 140 P CB -0.176 31.521 31.700 -0.004 0.000 1.733 141 R N 0.007 120.508 120.500 0.002 0.000 2.837 141 R HA 0.636 4.976 4.340 0.000 0.000 0.271 141 R C -0.170 176.130 176.300 0.001 0.000 0.993 141 R CA -0.866 55.237 56.100 0.006 0.000 0.931 141 R CB 2.655 32.961 30.300 0.010 0.000 1.206 141 R HN -0.024 nan 8.270 nan 0.000 0.474 142 R N 0.716 121.220 120.500 0.007 0.000 2.686 142 R HA 0.334 4.674 4.340 0.000 0.000 0.283 142 R C -0.991 175.313 176.300 0.006 0.000 0.978 142 R CA -0.497 55.598 56.100 -0.009 0.000 0.897 142 R CB 2.191 32.480 30.300 -0.019 0.000 1.192 142 R HN 0.699 nan 8.270 nan 0.000 0.457 143 S N 1.591 117.281 115.700 -0.016 0.000 2.593 143 S HA -0.020 4.450 4.470 0.000 0.000 0.300 143 S C 0.220 174.862 174.600 0.070 0.000 1.267 143 S CA -0.202 58.002 58.200 0.007 0.000 1.065 143 S CB 0.491 63.681 63.200 -0.017 0.000 0.807 143 S HN 0.342 nan 8.310 nan 0.000 0.499 144 V N 5.761 125.723 119.914 0.080 0.000 2.540 144 V HA 0.066 4.186 4.120 0.000 0.000 0.297 144 V C 1.254 177.441 176.094 0.155 0.000 1.024 144 V CA 0.639 63.003 62.300 0.107 0.000 1.105 144 V CB 0.058 31.908 31.823 0.044 0.000 0.938 144 V HN 1.082 nan 8.190 nan 0.000 0.482 145 H N 2.326 121.376 119.070 -0.033 0.000 3.770 145 H HA 0.342 4.898 4.556 0.000 0.000 0.264 145 H C -0.076 175.214 175.328 -0.064 0.000 1.164 145 H CA -0.439 55.585 56.048 -0.040 0.000 1.158 145 H CB 0.427 30.171 29.762 -0.030 0.000 1.653 145 H HN 0.605 nan 8.280 nan 0.000 0.795 146 E N 2.806 122.746 120.200 -0.434 0.000 2.187 146 E HA 0.415 4.765 4.350 0.000 0.000 0.268 146 E C -2.877 173.548 176.600 -0.291 0.000 0.896 146 E CA -2.168 53.960 56.400 -0.453 0.000 0.766 146 E CB 2.495 31.867 29.700 -0.546 0.000 1.142 146 E HN 0.118 nan 8.360 nan 0.000 0.408 147 P HA 0.002 nan 4.420 nan 0.000 0.271 147 P C -0.797 176.341 177.300 -0.269 0.000 1.216 147 P CA -0.196 62.773 63.100 -0.219 0.000 0.776 147 P CB 0.597 32.175 31.700 -0.202 0.000 0.881 148 V N 4.859 124.654 119.914 -0.198 0.000 2.385 148 V HA 0.135 4.255 4.120 0.000 0.000 0.269 148 V C 0.523 176.529 176.094 -0.147 0.000 1.043 148 V CA -0.081 62.101 62.300 -0.197 0.000 0.906 148 V CB 0.417 32.161 31.823 -0.131 0.000 0.995 148 V HN 0.469 nan 8.190 nan 0.000 0.467 149 Q N 2.596 122.289 119.800 -0.178 0.000 2.406 149 Q HA 0.163 4.503 4.340 0.000 0.000 0.242 149 Q C 1.371 177.395 176.000 0.040 0.000 1.036 149 Q CA -0.036 55.740 55.803 -0.045 0.000 0.904 149 Q CB 1.128 29.879 28.738 0.023 0.000 1.244 149 Q HN 0.994 nan 8.270 nan 0.000 0.478 150 T N -1.180 113.391 114.554 0.028 0.000 2.904 150 T HA -0.001 4.349 4.350 0.000 0.000 0.267 150 T C 1.453 176.190 174.700 0.063 0.000 1.059 150 T CA 0.814 62.938 62.100 0.039 0.000 1.137 150 T CB -0.035 68.846 68.868 0.022 0.000 0.879 150 T HN 0.826 nan 8.240 nan 0.000 0.467 151 G N 1.111 109.953 108.800 0.071 0.000 2.176 151 G HA2 -0.197 3.763 3.960 0.000 0.000 0.253 151 G HA3 -0.197 3.763 3.960 0.000 0.000 0.253 151 G C -0.051 174.874 174.900 0.042 0.000 0.979 151 G CA 0.123 45.263 45.100 0.066 0.000 0.641 151 G HN 0.658 nan 8.290 nan 0.000 0.530 152 L N 0.618 121.861 121.223 0.035 0.000 2.265 152 L HA 0.415 4.755 4.340 0.000 0.000 0.288 152 L C 1.749 178.638 176.870 0.031 0.000 1.058 152 L CA -0.709 54.147 54.840 0.026 0.000 0.809 152 L CB 1.138 43.208 42.059 0.019 0.000 1.179 152 L HN 0.045 nan 8.230 nan 0.000 0.429 153 K N 2.493 122.912 120.400 0.032 0.000 2.044 153 K HA -0.229 4.091 4.320 0.000 0.000 0.210 153 K C 2.047 178.669 176.600 0.037 0.000 1.049 153 K CA 1.812 58.122 56.287 0.038 0.000 0.927 153 K CB -0.169 32.356 32.500 0.041 0.000 0.713 153 K HN 0.823 nan 8.250 nan 0.000 0.443 154 A N 0.942 123.782 122.820 0.033 0.000 1.883 154 A HA -0.156 4.164 4.320 0.000 0.000 0.217 154 A C 2.410 180.015 177.584 0.035 0.000 1.186 154 A CA 1.769 53.827 52.037 0.035 0.000 0.624 154 A CB -0.783 18.236 19.000 0.032 0.000 0.822 154 A HN 0.085 nan 8.150 nan 0.000 0.444 155 V N 0.519 120.451 119.914 0.031 0.000 2.229 155 V HA -0.227 3.893 4.120 0.000 0.000 0.243 155 V C 2.233 178.340 176.094 0.023 0.000 1.042 155 V CA 2.279 64.595 62.300 0.026 0.000 1.000 155 V CB -0.980 30.856 31.823 0.022 0.000 0.637 155 V HN 0.482 nan 8.190 nan 0.000 0.446 156 D N 0.347 120.761 120.400 0.024 0.000 2.149 156 D HA -0.144 4.496 4.640 0.000 0.000 0.198 156 D C 2.092 178.407 176.300 0.024 0.000 0.990 156 D CA 1.712 55.724 54.000 0.020 0.000 0.839 156 D CB -0.298 40.518 40.800 0.027 0.000 0.948 156 D HN 0.457 nan 8.370 nan 0.000 0.460 157 A N -0.320 122.520 122.820 0.033 0.000 1.898 157 A HA 0.033 4.353 4.320 0.000 0.000 0.214 157 A C 2.196 179.802 177.584 0.036 0.000 1.183 157 A CA 0.771 52.831 52.037 0.039 0.000 0.622 157 A CB -0.269 18.760 19.000 0.049 0.000 0.824 157 A HN 0.219 nan 8.150 nan 0.000 0.444 158 L N -1.435 119.809 121.223 0.035 0.000 2.575 158 L HA 0.185 4.525 4.340 0.000 0.000 0.228 158 L C -0.217 176.671 176.870 0.030 0.000 1.075 158 L CA 0.143 55.005 54.840 0.036 0.000 0.867 158 L CB 1.055 43.141 42.059 0.044 0.000 1.097 158 L HN 0.078 nan 8.230 nan 0.000 0.485 159 V N 1.140 121.069 119.914 0.025 0.000 2.502 159 V HA 0.244 4.364 4.120 0.000 0.000 0.261 159 V C -2.467 173.632 176.094 0.009 0.000 0.996 159 V CA -1.122 61.190 62.300 0.019 0.000 1.095 159 V CB 0.478 32.316 31.823 0.025 0.000 1.325 159 V HN -0.019 nan 8.190 nan 0.000 0.574 160 P HA 0.316 nan 4.420 nan 0.000 0.271 160 P C -0.432 176.857 177.300 -0.017 0.000 1.216 160 P CA 0.257 63.353 63.100 -0.007 0.000 0.771 160 P CB 1.382 33.078 31.700 -0.007 0.000 0.864 161 I N 2.107 122.660 120.570 -0.029 0.000 2.378 161 I HA 0.448 4.618 4.170 0.000 0.000 0.291 161 I C 1.113 177.195 176.117 -0.059 0.000 0.992 161 I CA -0.422 60.856 61.300 -0.037 0.000 1.154 161 I CB 1.826 39.805 38.000 -0.034 0.000 1.315 161 I HN 0.333 nan 8.210 nan 0.000 0.448 162 G N 5.037 113.805 108.800 -0.053 0.000 2.488 162 G HA2 0.534 4.494 3.960 0.000 0.000 0.318 162 G HA3 0.534 4.494 3.960 0.000 0.000 0.318 162 G C -0.468 174.391 174.900 -0.069 0.000 1.188 162 G CA -0.817 44.241 45.100 -0.071 0.000 0.944 162 G HN 0.524 nan 8.290 nan 0.000 0.495 163 R N -0.234 120.212 120.500 -0.090 0.000 2.267 163 R HA 0.443 4.783 4.340 0.000 0.000 0.319 163 R C 0.958 177.262 176.300 0.007 0.000 1.067 163 R CA 0.841 56.907 56.100 -0.057 0.000 0.936 163 R CB 0.975 31.212 30.300 -0.106 0.000 1.006 163 R HN 1.043 nan 8.270 nan 0.000 0.452 164 G N 1.853 110.666 108.800 0.021 0.000 2.179 164 G HA2 -0.279 3.681 3.960 0.000 0.000 0.220 164 G HA3 -0.279 3.681 3.960 0.000 0.000 0.220 164 G C 0.086 174.996 174.900 0.018 0.000 0.990 164 G CA -0.053 45.066 45.100 0.032 0.000 0.646 164 G HN 0.578 nan 8.290 nan 0.000 0.517 165 Q N 0.052 119.854 119.800 0.003 0.000 2.221 165 Q HA 0.721 5.061 4.340 0.000 0.000 0.242 165 Q C -0.075 175.922 176.000 -0.006 0.000 0.940 165 Q CA -0.768 55.033 55.803 -0.003 0.000 0.896 165 Q CB 0.586 29.316 28.738 -0.012 0.000 1.226 165 Q HN 0.378 nan 8.270 nan 0.000 0.463 166 R N 2.149 122.643 120.500 -0.010 0.000 2.320 166 R HA 0.285 4.625 4.340 0.000 0.000 0.319 166 R C -1.423 174.860 176.300 -0.027 0.000 0.969 166 R CA -0.553 55.538 56.100 -0.015 0.000 0.857 166 R CB 1.445 31.735 30.300 -0.018 0.000 1.160 166 R HN 0.453 nan 8.270 nan 0.000 0.491 167 E N 3.174 123.357 120.200 -0.028 0.000 2.185 167 E HA 0.215 4.565 4.350 0.000 0.000 0.261 167 E C -1.535 175.041 176.600 -0.040 0.000 0.879 167 E CA -0.923 55.457 56.400 -0.034 0.000 0.756 167 E CB 1.102 30.787 29.700 -0.025 0.000 1.152 167 E HN 0.383 nan 8.360 nan 0.000 0.416 168 L N 5.573 126.760 121.223 -0.059 0.000 2.305 168 L HA 0.501 4.841 4.340 0.000 0.000 0.281 168 L C -0.910 175.927 176.870 -0.055 0.000 1.085 168 L CA 0.009 54.807 54.840 -0.071 0.000 0.813 168 L CB 0.548 42.541 42.059 -0.110 0.000 1.157 168 L HN 0.641 nan 8.230 nan 0.000 0.436 169 I N 7.142 127.693 120.570 -0.031 0.000 2.291 169 I HA 0.352 4.522 4.170 0.000 0.000 0.290 169 I C -0.172 175.951 176.117 0.010 0.000 1.050 169 I CA 0.034 61.335 61.300 0.002 0.000 1.245 169 I CB 0.792 38.801 38.000 0.016 0.000 1.405 169 I HN 0.601 nan 8.210 nan 0.000 0.478 170 I N 5.491 126.086 120.570 0.042 0.000 2.608 170 I HA 0.904 5.074 4.170 0.000 0.000 0.295 170 I C -0.183 176.116 176.117 0.303 0.000 1.049 170 I CA -0.066 61.285 61.300 0.084 0.000 1.063 170 I CB 1.999 39.949 38.000 -0.083 0.000 1.248 170 I HN 0.667 nan 8.210 nan 0.000 0.424 171 G N 4.694 113.639 108.800 0.242 0.000 2.316 171 G HA2 0.145 4.105 3.960 0.000 0.000 0.296 171 G HA3 0.145 4.105 3.960 0.000 0.000 0.296 171 G C -1.851 173.103 174.900 0.089 0.000 1.399 171 G CA -0.847 44.370 45.100 0.196 0.000 0.833 171 G HN 0.527 nan 8.290 nan 0.000 0.565 172 D N 0.255 120.674 120.400 0.032 0.000 2.335 172 D HA 0.306 4.946 4.640 0.000 0.000 0.236 172 D C 1.415 177.710 176.300 -0.007 0.000 1.297 172 D CA 0.167 54.174 54.000 0.011 0.000 0.906 172 D CB 0.322 41.115 40.800 -0.013 0.000 1.164 172 D HN 0.714 nan 8.370 nan 0.000 0.469 173 R N 0.250 120.747 120.500 -0.005 0.000 2.697 173 R HA -0.022 4.318 4.340 0.000 0.000 0.265 173 R C -0.143 176.118 176.300 -0.064 0.000 1.009 173 R CA -0.043 56.047 56.100 -0.017 0.000 1.099 173 R CB -0.272 30.026 30.300 -0.002 0.000 0.965 173 R HN 0.362 nan 8.270 nan 0.000 0.428 174 Q N -0.127 119.625 119.800 -0.080 0.000 2.451 174 Q HA -0.197 4.143 4.340 0.000 0.000 0.305 174 Q C -0.019 175.802 176.000 -0.298 0.000 1.345 174 Q CA 1.216 56.926 55.803 -0.156 0.000 0.854 174 Q CB -1.649 27.010 28.738 -0.131 0.000 1.162 174 Q HN 1.006 nan 8.270 nan 0.000 0.440 175 T N -5.346 109.071 114.554 -0.229 0.000 2.985 175 T HA 0.448 4.798 4.350 0.000 0.000 0.254 175 T C 1.189 175.797 174.700 -0.153 0.000 1.021 175 T CA 0.585 62.529 62.100 -0.260 0.000 0.957 175 T CB 1.226 70.013 68.868 -0.136 0.000 1.047 175 T HN 0.912 nan 8.240 nan 0.000 0.511 176 G N 1.729 110.470 108.800 -0.098 0.000 2.148 176 G HA2 -0.199 3.761 3.960 0.000 0.000 0.157 176 G HA3 -0.199 3.761 3.960 0.000 0.000 0.157 176 G C 0.721 175.627 174.900 0.010 0.000 1.012 176 G CA 0.131 45.223 45.100 -0.013 0.000 0.677 176 G HN 0.469 nan 8.290 nan 0.000 0.506 177 K N -0.107 120.299 120.400 0.010 0.000 2.020 177 K HA -0.109 4.211 4.320 0.000 0.000 0.212 177 K C 2.504 179.128 176.600 0.041 0.000 1.050 177 K CA 2.008 58.313 56.287 0.030 0.000 0.929 177 K CB -0.441 32.079 32.500 0.033 0.000 0.714 177 K HN 0.282 nan 8.250 nan 0.000 0.443 178 T N 1.184 115.767 114.554 0.049 0.000 2.720 178 T HA -0.164 4.186 4.350 0.000 0.000 0.268 178 T C 2.032 176.759 174.700 0.045 0.000 1.037 178 T CA 1.400 63.548 62.100 0.080 0.000 1.144 178 T CB -0.374 68.548 68.868 0.091 0.000 0.864 178 T HN 0.392 nan 8.240 nan 0.000 0.444 179 A N 0.995 123.819 122.820 0.007 0.000 1.927 179 A HA -0.134 4.186 4.320 0.000 0.000 0.220 179 A C 2.584 180.150 177.584 -0.030 0.000 1.185 179 A CA 1.824 53.835 52.037 -0.044 0.000 0.639 179 A CB -1.165 17.791 19.000 -0.073 0.000 0.820 179 A HN 0.377 nan 8.150 nan 0.000 0.451 180 V N -0.461 119.453 119.914 0.000 0.000 2.295 180 V HA -0.233 3.887 4.120 0.000 0.000 0.246 180 V C 3.041 179.148 176.094 0.022 0.000 1.049 180 V CA 2.038 64.344 62.300 0.010 0.000 1.024 180 V CB -1.206 30.630 31.823 0.023 0.000 0.648 180 V HN 0.649 nan 8.190 nan 0.000 0.447 181 A N -0.457 122.388 122.820 0.042 0.000 1.898 181 A HA -0.150 4.170 4.320 0.000 0.000 0.216 181 A C 2.140 179.760 177.584 0.059 0.000 1.181 181 A CA 1.802 53.877 52.037 0.062 0.000 0.620 181 A CB -0.558 18.507 19.000 0.108 0.000 0.819 181 A HN 0.425 nan 8.150 nan 0.000 0.442 182 L N 0.140 121.386 121.223 0.039 0.000 2.046 182 L HA -0.177 4.163 4.340 0.000 0.000 0.208 182 L C 1.579 178.460 176.870 0.017 0.000 1.077 182 L CA 2.398 57.242 54.840 0.007 0.000 0.747 182 L CB -0.577 41.479 42.059 -0.004 0.000 0.896 182 L HN 0.328 nan 8.230 nan 0.000 0.432 183 D N -1.457 118.947 120.400 0.007 0.000 2.144 183 D HA -0.135 4.505 4.640 0.000 0.000 0.200 183 D C 2.093 178.417 176.300 0.040 0.000 0.978 183 D CA 1.555 55.562 54.000 0.011 0.000 0.833 183 D CB -0.218 40.571 40.800 -0.017 0.000 0.961 183 D HN 0.339 nan 8.370 nan 0.000 0.470 184 T N 0.892 115.471 114.554 0.041 0.000 2.720 184 T HA -0.115 4.235 4.350 0.000 0.000 0.268 184 T C 2.181 176.928 174.700 0.078 0.000 1.037 184 T CA 0.745 62.876 62.100 0.051 0.000 1.144 184 T CB -0.187 68.702 68.868 0.035 0.000 0.864 184 T HN 0.177 nan 8.240 nan 0.000 0.444 185 I N 0.542 121.165 120.570 0.089 0.000 2.202 185 I HA -0.085 4.085 4.170 0.000 0.000 0.242 185 I C 2.283 178.528 176.117 0.213 0.000 1.091 185 I CA 1.023 62.414 61.300 0.152 0.000 1.368 185 I CB -0.389 37.684 38.000 0.121 0.000 1.058 185 I HN 0.178 nan 8.210 nan 0.000 0.410 186 L N 0.526 121.824 121.223 0.125 0.000 2.127 186 L HA -0.251 4.089 4.340 0.000 0.000 0.211 186 L C 2.214 179.174 176.870 0.149 0.000 1.089 186 L CA 1.408 56.321 54.840 0.121 0.000 0.757 186 L CB -0.770 41.297 42.059 0.013 0.000 0.899 186 L HN 0.351 nan 8.230 nan 0.000 0.434 187 N N -0.363 118.412 118.700 0.125 0.000 2.309 187 N HA -0.175 4.565 4.740 0.000 0.000 0.182 187 N C 1.783 177.382 175.510 0.147 0.000 1.018 187 N CA 0.814 53.935 53.050 0.118 0.000 0.876 187 N CB 0.101 38.674 38.487 0.143 0.000 0.972 187 N HN 0.234 nan 8.380 nan 0.000 0.434 188 Q N 0.328 120.220 119.800 0.153 0.000 2.437 188 Q HA -0.052 4.288 4.340 0.000 0.000 0.210 188 Q C 1.506 177.442 176.000 -0.108 0.000 0.972 188 Q CA 0.507 56.370 55.803 0.100 0.000 0.903 188 Q CB -0.122 28.505 28.738 -0.186 0.000 0.967 188 Q HN 0.437 nan 8.270 nan 0.000 0.486 189 K N 0.948 121.317 120.400 -0.052 0.000 2.107 189 K HA -0.198 4.122 4.320 0.000 0.000 0.211 189 K C 2.009 178.477 176.600 -0.220 0.000 1.049 189 K CA 1.513 57.777 56.287 -0.038 0.000 0.927 189 K CB -0.042 32.490 32.500 0.054 0.000 0.714 189 K HN 0.187 nan 8.250 nan 0.000 0.452 190 R N -0.919 119.294 120.500 -0.477 0.000 2.159 190 R HA -0.152 4.188 4.340 0.000 0.000 0.237 190 R C 1.742 177.460 176.300 -0.970 0.000 1.131 190 R CA 1.550 57.094 56.100 -0.928 0.000 0.982 190 R CB -0.064 29.260 30.300 -1.626 0.000 0.868 190 R HN 0.448 nan 8.270 nan 0.000 0.453 191 W N -0.920 120.287 121.300 -0.154 0.000 2.968 191 W HA 0.216 4.876 4.660 0.000 0.000 0.253 191 W C 1.217 177.616 176.519 -0.200 0.000 1.150 191 W CA -0.638 56.608 57.345 -0.165 0.000 1.463 191 W CB -0.438 28.912 29.460 -0.183 0.000 0.906 191 W HN 0.017 nan 8.180 nan 0.000 0.650 192 N N 1.536 120.193 118.700 -0.072 0.000 2.272 192 N HA -0.147 4.593 4.740 0.000 0.000 0.185 192 N C 1.104 176.583 175.510 -0.052 0.000 1.014 192 N CA 1.083 54.011 53.050 -0.202 0.000 0.870 192 N CB -0.598 37.554 38.487 -0.559 0.000 0.975 192 N HN 0.154 nan 8.380 nan 0.000 0.433 193 N N 0.220 118.898 118.700 -0.038 0.000 2.409 193 N HA -0.005 4.735 4.740 0.000 0.000 0.179 193 N C 1.141 176.649 175.510 -0.003 0.000 1.032 193 N CA 0.340 53.388 53.050 -0.004 0.000 0.898 193 N CB -0.095 38.377 38.487 -0.025 0.000 0.971 193 N HN 0.187 nan 8.380 nan 0.000 0.441 194 G N -0.634 108.160 108.800 -0.010 0.000 2.516 194 G HA2 0.223 4.183 3.960 0.000 0.000 0.276 194 G HA3 0.223 4.183 3.960 0.000 0.000 0.276 194 G C 0.639 175.559 174.900 0.034 0.000 1.390 194 G CA -0.225 44.881 45.100 0.009 0.000 1.050 194 G HN 0.120 nan 8.290 nan 0.000 0.519 195 S N -1.083 114.641 115.700 0.039 0.000 2.506 195 S HA 0.086 4.556 4.470 0.000 0.000 0.219 195 S C 0.524 175.159 174.600 0.058 0.000 1.031 195 S CA -0.143 58.087 58.200 0.050 0.000 0.911 195 S CB 0.217 63.442 63.200 0.041 0.000 0.812 195 S HN 0.597 nan 8.310 nan 0.000 0.497 196 D N 2.734 123.167 120.400 0.054 0.000 2.349 196 D HA 0.057 4.697 4.640 0.000 0.000 0.266 196 D C 0.876 177.208 176.300 0.053 0.000 1.293 196 D CA 0.193 54.224 54.000 0.052 0.000 0.926 196 D CB 0.455 41.284 40.800 0.049 0.000 1.090 196 D HN 0.057 nan 8.370 nan 0.000 0.502 197 E N 1.480 121.723 120.200 0.072 0.000 2.347 197 E HA -0.113 4.237 4.350 0.000 0.000 0.196 197 E C 1.660 178.323 176.600 0.105 0.000 1.008 197 E CA 0.426 56.888 56.400 0.102 0.000 0.852 197 E CB 0.096 29.881 29.700 0.143 0.000 0.783 197 E HN 0.548 nan 8.360 nan 0.000 0.505 198 S N 0.032 115.778 115.700 0.077 0.000 2.496 198 S HA 0.046 4.516 4.470 0.000 0.000 0.224 198 S C 1.628 176.182 174.600 -0.077 0.000 0.996 198 S CA 0.335 58.589 58.200 0.090 0.000 0.927 198 S CB 0.098 63.334 63.200 0.061 0.000 0.774 198 S HN 0.083 nan 8.310 nan 0.000 0.524 199 K N 0.668 121.004 120.400 -0.107 0.000 2.361 199 K HA 0.240 4.560 4.320 0.000 0.000 0.194 199 K C 0.187 176.621 176.600 -0.277 0.000 1.032 199 K CA 0.036 56.166 56.287 -0.262 0.000 1.048 199 K CB 0.289 32.690 32.500 -0.165 0.000 0.842 199 K HN 0.315 nan 8.250 nan 0.000 0.526 200 K N 1.243 121.542 120.400 -0.169 0.000 2.258 200 K HA 0.190 4.510 4.320 0.000 0.000 0.264 200 K C -0.725 175.657 176.600 -0.364 0.000 1.007 200 K CA -0.308 55.807 56.287 -0.287 0.000 0.941 200 K CB 0.683 32.944 32.500 -0.399 0.000 0.966 200 K HN -0.159 nan 8.250 nan 0.000 0.480 201 L N 3.379 124.312 121.223 -0.484 0.000 2.457 201 L HA 0.275 4.615 4.340 0.000 0.000 0.266 201 L C -1.706 174.904 176.870 -0.432 0.000 0.979 201 L CA -0.398 54.227 54.840 -0.358 0.000 0.857 201 L CB 0.694 42.597 42.059 -0.260 0.000 1.213 201 L HN 0.428 nan 8.230 nan 0.000 0.418 202 Y N 3.141 123.294 120.300 -0.246 0.000 2.335 202 Y HA 0.414 4.964 4.550 0.000 0.000 0.331 202 Y C 0.540 176.327 175.900 -0.188 0.000 1.094 202 Y CA -0.063 57.849 58.100 -0.313 0.000 1.253 202 Y CB 0.833 38.760 38.460 -0.889 0.000 1.203 202 Y HN 0.494 nan 8.280 nan 0.000 0.508 203 C N 3.427 122.816 119.300 0.150 0.000 2.355 203 C HA 0.715 5.175 4.460 0.000 0.000 0.332 203 C C -0.262 174.788 174.990 0.100 0.000 1.255 203 C CA -1.171 57.918 59.018 0.119 0.000 1.792 203 C CB 0.477 28.334 27.740 0.194 0.000 2.300 203 C HN 0.559 nan 8.230 nan 0.000 0.515 204 V N 3.319 123.269 119.914 0.059 0.000 2.407 204 V HA 0.302 4.422 4.120 0.000 0.000 0.291 204 V C -0.918 175.190 176.094 0.024 0.000 1.018 204 V CA -0.552 61.778 62.300 0.050 0.000 0.842 204 V CB 0.901 32.740 31.823 0.026 0.000 0.996 204 V HN 0.805 nan 8.190 nan 0.000 0.426 205 Y N 4.821 125.091 120.300 -0.050 0.000 2.331 205 Y HA 0.663 5.213 4.550 0.000 0.000 0.338 205 Y C -0.302 175.567 175.900 -0.052 0.000 0.992 205 Y CA -0.675 57.388 58.100 -0.063 0.000 1.121 205 Y CB 1.774 40.214 38.460 -0.033 0.000 1.184 205 Y HN 0.426 nan 8.280 nan 0.000 0.469 206 V N 6.447 126.023 119.914 -0.563 0.000 2.313 206 V HA 0.581 4.701 4.120 0.000 0.000 0.278 206 V C -0.041 175.782 176.094 -0.451 0.000 1.017 206 V CA -0.821 61.280 62.300 -0.331 0.000 0.823 206 V CB 0.676 32.404 31.823 -0.157 0.000 1.010 206 V HN 0.937 nan 8.190 nan 0.000 0.443 207 A N 5.396 128.096 122.820 -0.200 0.000 2.310 207 A HA 0.713 5.033 4.320 0.000 0.000 0.300 207 A C -0.348 177.224 177.584 -0.021 0.000 1.269 207 A CA -0.296 51.707 52.037 -0.057 0.000 0.909 207 A CB 0.437 19.538 19.000 0.168 0.000 1.144 207 A HN 0.682 nan 8.150 nan 0.000 0.540 208 V N 2.519 122.418 119.914 -0.025 0.000 2.409 208 V HA 0.638 4.758 4.120 0.000 0.000 0.291 208 V C 1.199 177.310 176.094 0.029 0.000 1.020 208 V CA 0.450 62.752 62.300 0.004 0.000 0.848 208 V CB 0.836 32.656 31.823 -0.004 0.000 0.990 208 V HN 1.762 nan 8.190 nan 0.000 0.430 209 G N 3.764 112.589 108.800 0.042 0.000 2.189 209 G HA2 -0.247 3.713 3.960 0.000 0.000 0.267 209 G HA3 -0.247 3.713 3.960 0.000 0.000 0.267 209 G C 0.242 175.172 174.900 0.049 0.000 0.975 209 G CA 0.514 45.644 45.100 0.050 0.000 0.644 209 G HN 0.670 nan 8.290 nan 0.000 0.537 210 Q N 0.310 120.142 119.800 0.052 0.000 2.382 210 Q HA 0.449 4.789 4.340 0.000 0.000 0.229 210 Q C 0.748 176.779 176.000 0.051 0.000 1.006 210 Q CA 0.056 55.894 55.803 0.058 0.000 0.916 210 Q CB 0.611 29.397 28.738 0.080 0.000 1.235 210 Q HN 0.651 nan 8.270 nan 0.000 0.512 211 K N 0.348 120.777 120.400 0.047 0.000 2.154 211 K HA 0.216 4.536 4.320 0.000 0.000 0.264 211 K C 0.425 177.049 176.600 0.040 0.000 1.008 211 K CA -0.530 55.781 56.287 0.040 0.000 0.937 211 K CB 1.166 33.687 32.500 0.034 0.000 1.002 211 K HN 0.433 nan 8.250 nan 0.000 0.469 212 R N 0.641 121.161 120.500 0.033 0.000 2.083 212 R HA -0.175 4.165 4.340 0.000 0.000 0.237 212 R C 2.414 178.731 176.300 0.027 0.000 1.137 212 R CA 2.313 58.431 56.100 0.031 0.000 0.951 212 R CB -0.427 29.888 30.300 0.025 0.000 0.851 212 R HN 0.960 nan 8.270 nan 0.000 0.434 213 S N -0.398 115.316 115.700 0.023 0.000 2.399 213 S HA -0.133 4.337 4.470 0.000 0.000 0.231 213 S C 1.899 176.510 174.600 0.019 0.000 1.022 213 S CA 1.742 59.953 58.200 0.018 0.000 0.983 213 S CB -0.395 62.815 63.200 0.017 0.000 0.803 213 S HN 0.212 nan 8.310 nan 0.000 0.480 214 T N 2.009 116.579 114.554 0.028 0.000 2.821 214 T HA 0.028 4.378 4.350 0.000 0.000 0.267 214 T C 1.864 176.581 174.700 0.028 0.000 1.046 214 T CA 1.313 63.431 62.100 0.031 0.000 1.139 214 T CB -0.448 68.446 68.868 0.044 0.000 0.871 214 T HN 0.320 nan 8.240 nan 0.000 0.454 215 V N 1.737 121.674 119.914 0.039 0.000 2.307 215 V HA -0.117 4.003 4.120 0.000 0.000 0.245 215 V C 2.903 178.999 176.094 0.004 0.000 1.045 215 V CA 1.577 63.900 62.300 0.038 0.000 1.024 215 V CB -1.215 30.648 31.823 0.066 0.000 0.651 215 V HN 0.498 nan 8.190 nan 0.000 0.449 216 A N -0.335 122.489 122.820 0.007 0.000 1.940 216 A HA -0.327 3.993 4.320 0.000 0.000 0.219 216 A C 2.182 179.755 177.584 -0.017 0.000 1.176 216 A CA 2.369 54.403 52.037 -0.004 0.000 0.631 216 A CB -0.516 18.485 19.000 0.001 0.000 0.814 216 A HN 0.557 nan 8.150 nan 0.000 0.446 217 Q N -0.724 119.067 119.800 -0.014 0.000 2.123 217 Q HA -0.021 4.319 4.340 0.000 0.000 0.199 217 Q C 1.860 177.834 176.000 -0.044 0.000 0.966 217 Q CA 1.531 57.322 55.803 -0.021 0.000 0.845 217 Q CB -0.415 28.321 28.738 -0.004 0.000 0.907 217 Q HN 0.570 nan 8.270 nan 0.000 0.439 218 L N -0.803 120.384 121.223 -0.060 0.000 2.056 218 L HA -0.108 4.232 4.340 0.000 0.000 0.207 218 L C 2.039 178.832 176.870 -0.128 0.000 1.078 218 L CA 1.114 55.884 54.840 -0.117 0.000 0.749 218 L CB -0.351 41.589 42.059 -0.198 0.000 0.901 218 L HN 0.118 nan 8.230 nan 0.000 0.433 219 V N -0.425 119.431 119.914 -0.096 0.000 2.287 219 V HA -0.367 3.753 4.120 0.000 0.000 0.248 219 V C 2.519 178.570 176.094 -0.071 0.000 1.053 219 V CA 2.180 64.431 62.300 -0.081 0.000 1.027 219 V CB -0.617 31.177 31.823 -0.049 0.000 0.646 219 V HN 0.596 nan 8.190 nan 0.000 0.447 220 Q N -0.517 119.248 119.800 -0.058 0.000 2.061 220 Q HA -0.243 4.097 4.340 0.000 0.000 0.204 220 Q C 2.319 178.284 176.000 -0.059 0.000 0.984 220 Q CA 2.451 58.222 55.803 -0.052 0.000 0.846 220 Q CB -0.232 28.480 28.738 -0.043 0.000 0.902 220 Q HN 0.674 nan 8.270 nan 0.000 0.421 221 T N 1.345 115.853 114.554 -0.077 0.000 2.684 221 T HA -0.148 4.202 4.350 0.000 0.000 0.267 221 T C 1.814 176.488 174.700 -0.043 0.000 1.036 221 T CA 1.277 63.322 62.100 -0.092 0.000 1.148 221 T CB -0.251 68.515 68.868 -0.169 0.000 0.863 221 T HN 0.248 nan 8.240 nan 0.000 0.436 222 L N 0.551 121.722 121.223 -0.088 0.000 2.079 222 L HA -0.144 4.196 4.340 0.000 0.000 0.210 222 L C 2.714 179.546 176.870 -0.063 0.000 1.081 222 L CA 1.472 56.256 54.840 -0.093 0.000 0.752 222 L CB -0.564 41.410 42.059 -0.141 0.000 0.896 222 L HN 0.348 nan 8.230 nan 0.000 0.433 223 E N -0.251 119.913 120.200 -0.059 0.000 2.051 223 E HA -0.261 4.089 4.350 0.000 0.000 0.192 223 E C 2.271 178.847 176.600 -0.039 0.000 0.991 223 E CA 1.153 57.521 56.400 -0.054 0.000 0.799 223 E CB -0.047 29.623 29.700 -0.051 0.000 0.748 223 E HN 0.504 nan 8.360 nan 0.000 0.449 224 Q N -0.464 119.320 119.800 -0.027 0.000 2.170 224 Q HA -0.160 4.180 4.340 0.000 0.000 0.203 224 Q C 1.219 177.133 176.000 -0.143 0.000 0.976 224 Q CA 1.176 56.933 55.803 -0.078 0.000 0.858 224 Q CB 0.009 28.689 28.738 -0.097 0.000 0.907 224 Q HN 0.388 nan 8.270 nan 0.000 0.433 225 H N -0.635 118.378 119.070 -0.095 0.000 2.526 225 H HA 0.062 4.618 4.556 0.000 0.000 0.274 225 H C -0.457 174.838 175.328 -0.054 0.000 0.999 225 H CA 0.386 56.394 56.048 -0.066 0.000 1.157 225 H CB 0.361 30.091 29.762 -0.053 0.000 1.407 225 H HN 0.137 nan 8.280 nan 0.000 0.568 226 D N -0.560 119.845 120.400 0.008 0.000 2.699 226 D HA -0.200 4.440 4.640 0.000 0.000 0.239 226 D C 0.800 177.058 176.300 -0.070 0.000 1.136 226 D CA 0.725 54.709 54.000 -0.026 0.000 0.668 226 D CB -1.071 39.725 40.800 -0.007 0.000 1.060 226 D HN 0.492 nan 8.370 nan 0.000 0.429 227 A N -0.236 122.476 122.820 -0.180 0.000 2.259 227 A HA 0.168 4.488 4.320 0.000 0.000 0.213 227 A C 2.086 179.217 177.584 -0.755 0.000 1.209 227 A CA 0.362 52.075 52.037 -0.539 0.000 0.910 227 A CB 0.015 18.839 19.000 -0.293 0.000 0.946 227 A HN 0.304 nan 8.150 nan 0.000 0.497 228 M N 1.416 120.801 119.600 -0.358 0.000 2.144 228 M HA -0.195 4.285 4.480 0.000 0.000 0.260 228 M C 2.064 178.233 176.300 -0.219 0.000 1.067 228 M CA 2.097 57.250 55.300 -0.246 0.000 1.095 228 M CB -0.920 31.603 32.600 -0.128 0.000 1.365 228 M HN 0.691 nan 8.290 nan 0.000 0.406 229 K N 0.112 120.400 120.400 -0.187 0.000 2.360 229 K HA -0.181 4.139 4.320 0.000 0.000 0.201 229 K C 0.897 177.548 176.600 0.086 0.000 1.046 229 K CA 1.541 57.809 56.287 -0.032 0.000 0.940 229 K CB -0.596 31.919 32.500 0.026 0.000 0.748 229 K HN 0.542 nan 8.250 nan 0.000 0.465 230 Y N -1.211 119.151 120.300 0.102 0.000 2.682 230 Y HA 0.512 5.062 4.550 0.000 0.000 0.251 230 Y C -0.372 175.604 175.900 0.128 0.000 1.172 230 Y CA -1.235 56.968 58.100 0.171 0.000 1.186 230 Y CB 0.243 38.785 38.460 0.137 0.000 1.216 230 Y HN -0.127 nan 8.280 nan 0.000 0.540 231 S N 1.193 116.901 115.700 0.012 0.000 2.568 231 S HA 0.747 5.217 4.470 0.000 0.000 0.302 231 S C -0.770 173.863 174.600 0.054 0.000 1.082 231 S CA -0.636 57.584 58.200 0.033 0.000 1.009 231 S CB 1.714 64.856 63.200 -0.097 0.000 1.069 231 S HN 0.253 nan 8.310 nan 0.000 0.500 232 I N 2.617 123.236 120.570 0.082 0.000 2.447 232 I HA 0.367 4.537 4.170 0.000 0.000 0.287 232 I C -1.116 175.053 176.117 0.086 0.000 1.023 232 I CA -0.596 60.751 61.300 0.079 0.000 1.083 232 I CB 1.449 39.514 38.000 0.108 0.000 1.245 232 I HN 0.357 nan 8.210 nan 0.000 0.434 233 I N 7.164 127.778 120.570 0.073 0.000 2.315 233 I HA 0.316 4.486 4.170 0.000 0.000 0.291 233 I C -0.029 176.135 176.117 0.077 0.000 1.006 233 I CA -0.709 60.655 61.300 0.106 0.000 1.265 233 I CB 1.386 39.438 38.000 0.088 0.000 1.387 233 I HN 0.141 nan 8.210 nan 0.000 0.475 234 V N 6.144 126.101 119.914 0.072 0.000 2.334 234 V HA 0.661 4.781 4.120 0.000 0.000 0.281 234 V C 0.351 176.464 176.094 0.033 0.000 1.016 234 V CA -0.620 61.702 62.300 0.036 0.000 0.832 234 V CB 1.411 33.245 31.823 0.019 0.000 0.999 234 V HN 0.857 nan 8.190 nan 0.000 0.439 235 A N 4.210 127.050 122.820 0.032 0.000 2.304 235 A HA 0.871 5.191 4.320 0.000 0.000 0.314 235 A C 0.127 177.720 177.584 0.015 0.000 1.187 235 A CA -0.318 51.740 52.037 0.035 0.000 0.810 235 A CB 1.343 20.374 19.000 0.052 0.000 1.183 235 A HN 1.256 nan 8.150 nan 0.000 0.487 236 A N 3.193 126.021 122.820 0.013 0.000 2.938 236 A HA 0.586 4.906 4.320 0.000 0.000 0.344 236 A C 0.619 178.218 177.584 0.025 0.000 1.142 236 A CA 0.094 52.137 52.037 0.009 0.000 0.841 236 A CB -0.661 18.339 19.000 -0.000 0.000 1.083 236 A HN 1.257 nan 8.150 nan 0.000 0.479 237 T N -1.572 113.000 114.554 0.029 0.000 2.701 237 T HA 0.436 4.786 4.350 0.000 0.000 0.303 237 T C 1.609 176.332 174.700 0.039 0.000 1.030 237 T CA 0.110 62.233 62.100 0.037 0.000 1.010 237 T CB 0.770 69.661 68.868 0.037 0.000 1.007 237 T HN 1.063 nan 8.240 nan 0.000 0.532 238 A N 0.865 123.710 122.820 0.041 0.000 1.986 238 A HA -0.101 4.219 4.320 0.000 0.000 0.220 238 A C 2.546 180.153 177.584 0.039 0.000 1.171 238 A CA 2.231 54.293 52.037 0.041 0.000 0.640 238 A CB -1.414 17.610 19.000 0.039 0.000 0.811 238 A HN 1.144 nan 8.150 nan 0.000 0.451 239 S N -0.617 115.104 115.700 0.034 0.000 2.501 239 S HA 0.094 4.564 4.470 0.000 0.000 0.220 239 S C 0.505 175.126 174.600 0.035 0.000 0.997 239 S CA -0.158 58.061 58.200 0.032 0.000 0.919 239 S CB -0.145 63.072 63.200 0.027 0.000 0.778 239 S HN 0.632 nan 8.310 nan 0.000 0.523 240 E N 1.737 121.958 120.200 0.036 0.000 2.390 240 E HA 0.495 4.845 4.350 0.000 0.000 0.261 240 E C 0.232 176.863 176.600 0.051 0.000 1.076 240 E CA -0.215 56.207 56.400 0.038 0.000 0.905 240 E CB 0.687 30.402 29.700 0.026 0.000 0.984 240 E HN 0.476 nan 8.360 nan 0.000 0.427 241 A N 1.819 124.677 122.820 0.063 0.000 2.547 241 A HA 0.118 4.438 4.320 0.000 0.000 0.233 241 A C 1.276 178.921 177.584 0.102 0.000 1.067 241 A CA 0.725 52.815 52.037 0.089 0.000 0.763 241 A CB 0.231 19.310 19.000 0.132 0.000 1.007 241 A HN 0.810 nan 8.150 nan 0.000 0.506 242 A N 2.749 125.636 122.820 0.113 0.000 1.908 242 A HA -0.022 4.298 4.320 0.000 0.000 0.218 242 A C -0.114 177.594 177.584 0.207 0.000 1.181 242 A CA 1.978 54.095 52.037 0.135 0.000 0.627 242 A CB -1.629 17.432 19.000 0.102 0.000 0.818 242 A HN 0.640 nan 8.150 nan 0.000 0.445 243 P HA -0.144 nan 4.420 nan 0.000 0.216 243 P C 1.417 178.878 177.300 0.267 0.000 1.150 243 P CA 0.883 64.213 63.100 0.383 0.000 0.837 243 P CB -0.140 31.874 31.700 0.523 0.000 0.786 244 L N -0.979 120.276 121.223 0.053 0.000 2.093 244 L HA -0.177 4.163 4.340 0.000 0.000 0.208 244 L C 2.557 179.431 176.870 0.007 0.000 1.085 244 L CA 1.472 56.255 54.840 -0.095 0.000 0.755 244 L CB -0.872 41.101 42.059 -0.143 0.000 0.904 244 L HN 0.030 nan 8.230 nan 0.000 0.435 245 Q N -1.058 118.790 119.800 0.081 0.000 2.172 245 Q HA -0.224 4.116 4.340 0.000 0.000 0.200 245 Q C 2.051 178.136 176.000 0.140 0.000 0.964 245 Q CA 1.485 57.343 55.803 0.091 0.000 0.855 245 Q CB -0.185 28.616 28.738 0.105 0.000 0.918 245 Q HN 0.556 nan 8.270 nan 0.000 0.444 246 Y N 0.658 121.024 120.300 0.111 0.000 2.242 246 Y HA -0.109 4.441 4.550 0.000 0.000 0.291 246 Y C 1.605 177.631 175.900 0.210 0.000 1.137 246 Y CA 1.054 59.261 58.100 0.177 0.000 1.181 246 Y CB -0.100 38.526 38.460 0.277 0.000 0.989 246 Y HN -0.033 nan 8.280 nan 0.000 0.527 247 L N -0.148 120.965 121.223 -0.184 0.000 2.209 247 L HA 0.035 4.375 4.340 0.000 0.000 0.207 247 L C 2.799 179.626 176.870 -0.070 0.000 1.094 247 L CA 0.747 55.459 54.840 -0.213 0.000 0.790 247 L CB -0.748 41.238 42.059 -0.122 0.000 0.932 247 L HN 0.345 nan 8.230 nan 0.000 0.447 248 A N 0.965 123.740 122.820 -0.075 0.000 1.917 248 A HA -0.170 4.150 4.320 0.000 0.000 0.219 248 A C -0.180 177.374 177.584 -0.051 0.000 1.182 248 A CA 1.854 53.860 52.037 -0.051 0.000 0.633 248 A CB -1.787 17.191 19.000 -0.036 0.000 0.819 248 A HN 0.261 nan 8.150 nan 0.000 0.448 249 P HA -0.150 nan 4.420 nan 0.000 0.215 249 P C 1.060 178.252 177.300 -0.181 0.000 1.157 249 P CA 1.225 64.216 63.100 -0.181 0.000 0.868 249 P CB -0.227 31.087 31.700 -0.644 0.000 0.788 250 F N -0.615 119.258 119.950 -0.130 0.000 2.102 250 F HA -0.170 4.357 4.527 0.000 0.000 0.298 250 F C 2.407 178.180 175.800 -0.045 0.000 1.105 250 F CA 1.580 59.510 58.000 -0.116 0.000 1.239 250 F CB -2.047 36.828 39.000 -0.207 0.000 0.991 250 F HN -0.103 nan 8.300 nan 0.000 0.474 251 T N 0.137 114.769 114.554 0.131 0.000 2.652 251 T HA -0.247 4.103 4.350 0.000 0.000 0.267 251 T C 2.319 177.066 174.700 0.078 0.000 1.039 251 T CA 1.625 63.770 62.100 0.076 0.000 1.153 251 T CB -0.843 68.044 68.868 0.031 0.000 0.863 251 T HN 0.308 nan 8.240 nan 0.000 0.428 252 A N 1.485 124.350 122.820 0.075 0.000 1.940 252 A HA 0.099 4.419 4.320 0.000 0.000 0.219 252 A C 2.670 180.320 177.584 0.110 0.000 1.176 252 A CA 1.982 54.066 52.037 0.079 0.000 0.631 252 A CB -1.189 17.843 19.000 0.053 0.000 0.814 252 A HN 0.527 nan 8.150 nan 0.000 0.446 253 A N -0.448 122.465 122.820 0.155 0.000 1.892 253 A HA -0.137 4.183 4.320 0.000 0.000 0.218 253 A C 2.463 180.131 177.584 0.140 0.000 1.188 253 A CA 2.288 54.425 52.037 0.167 0.000 0.631 253 A CB -0.948 18.160 19.000 0.180 0.000 0.822 253 A HN 0.476 nan 8.150 nan 0.000 0.447 254 S N -0.337 115.438 115.700 0.125 0.000 2.368 254 S HA -0.101 4.369 4.470 0.000 0.000 0.225 254 S C 1.806 176.480 174.600 0.123 0.000 1.030 254 S CA 1.373 59.639 58.200 0.110 0.000 0.999 254 S CB -0.503 62.749 63.200 0.086 0.000 0.844 254 S HN 0.526 nan 8.310 nan 0.000 0.459 255 I N 1.554 122.193 120.570 0.115 0.000 2.151 255 I HA -0.212 3.958 4.170 0.000 0.000 0.243 255 I C 2.647 178.906 176.117 0.238 0.000 1.080 255 I CA 1.362 62.736 61.300 0.124 0.000 1.339 255 I CB -0.730 37.332 38.000 0.103 0.000 1.039 255 I HN 0.388 nan 8.210 nan 0.000 0.409 256 G N -0.249 108.704 108.800 0.255 0.000 2.408 256 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 256 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 256 G C 1.514 176.608 174.900 0.324 0.000 1.150 256 G CA 0.460 45.769 45.100 0.348 0.000 0.776 256 G HN 0.404 nan 8.290 nan 0.000 0.542 257 E N -0.793 119.527 120.200 0.201 0.000 2.268 257 E HA -0.119 4.231 4.350 0.000 0.000 0.195 257 E C 1.876 178.528 176.600 0.088 0.000 0.995 257 E CA 0.366 56.842 56.400 0.127 0.000 0.836 257 E CB -0.171 29.583 29.700 0.089 0.000 0.763 257 E HN 0.671 nan 8.360 nan 0.000 0.491 258 W N 0.467 121.722 121.300 -0.075 0.000 2.335 258 W HA -0.243 4.417 4.660 0.000 0.000 0.311 258 W C 1.394 177.763 176.519 -0.250 0.000 1.213 258 W CA 1.577 58.788 57.345 -0.223 0.000 1.274 258 W CB -0.313 28.910 29.460 -0.395 0.000 1.148 258 W HN -0.004 nan 8.180 nan 0.000 0.498 259 F N 0.306 120.348 119.950 0.153 0.000 2.075 259 F HA -0.142 4.385 4.527 0.000 0.000 0.297 259 F C 2.784 178.473 175.800 -0.185 0.000 1.113 259 F CA 2.255 60.248 58.000 -0.012 0.000 1.218 259 F CB -1.429 37.683 39.000 0.186 0.000 0.984 259 F HN -0.196 nan 8.300 nan 0.000 0.472 260 R N 0.739 121.282 120.500 0.071 0.000 2.094 260 R HA -0.197 4.143 4.340 0.000 0.000 0.239 260 R C 1.611 177.822 176.300 -0.149 0.000 1.137 260 R CA 2.239 58.309 56.100 -0.050 0.000 0.943 260 R CB -0.580 29.724 30.300 0.007 0.000 0.850 260 R HN 0.191 nan 8.270 nan 0.000 0.433 261 D N 0.089 120.375 120.400 -0.190 0.000 2.350 261 D HA -0.089 4.551 4.640 0.000 0.000 0.216 261 D C 0.462 176.575 176.300 -0.312 0.000 0.968 261 D CA 0.803 54.670 54.000 -0.222 0.000 0.894 261 D CB -0.139 40.534 40.800 -0.212 0.000 0.909 261 D HN 0.279 nan 8.370 nan 0.000 0.520 262 N N -0.235 118.199 118.700 -0.444 0.000 2.328 262 N HA 0.160 4.900 4.740 0.000 0.000 0.247 262 N C 0.759 176.089 175.510 -0.300 0.000 1.165 262 N CA 0.172 52.929 53.050 -0.488 0.000 0.873 262 N CB 1.340 39.250 38.487 -0.962 0.000 1.125 262 N HN 0.077 nan 8.380 nan 0.000 0.513 263 G N 1.268 109.930 108.800 -0.231 0.000 2.198 263 G HA2 -0.300 3.660 3.960 0.000 0.000 0.260 263 G HA3 -0.300 3.660 3.960 0.000 0.000 0.260 263 G C 0.067 174.849 174.900 -0.196 0.000 1.025 263 G CA 0.557 45.549 45.100 -0.180 0.000 0.769 263 G HN 0.337 nan 8.290 nan 0.000 0.507 264 K N -0.796 119.471 120.400 -0.223 0.000 2.331 264 K HA 0.718 5.038 4.320 0.000 0.000 0.238 264 K C -0.449 175.931 176.600 -0.366 0.000 1.058 264 K CA -1.061 55.154 56.287 -0.120 0.000 0.871 264 K CB 1.307 33.971 32.500 0.274 0.000 1.292 264 K HN 0.301 nan 8.250 nan 0.000 0.470 265 H N -0.370 118.784 119.070 0.140 0.000 2.589 265 H HA 0.529 5.085 4.556 0.000 0.000 0.351 265 H C -1.089 174.267 175.328 0.046 0.000 1.074 265 H CA -0.795 55.284 56.048 0.051 0.000 1.203 265 H CB 1.993 31.721 29.762 -0.057 0.000 1.558 265 H HN 0.682 nan 8.280 nan 0.000 0.522 266 A N 2.942 125.844 122.820 0.137 0.000 2.380 266 A HA 0.584 4.904 4.320 0.000 0.000 0.315 266 A C -1.204 176.398 177.584 0.031 0.000 1.101 266 A CA -0.719 51.353 52.037 0.058 0.000 0.771 266 A CB 1.780 20.860 19.000 0.133 0.000 1.287 266 A HN 0.496 nan 8.150 nan 0.000 0.436 267 L N 1.810 123.031 121.223 -0.004 0.000 2.356 267 L HA 0.769 5.109 4.340 0.000 0.000 0.277 267 L C -1.104 175.734 176.870 -0.053 0.000 0.996 267 L CA -0.361 54.463 54.840 -0.026 0.000 0.822 267 L CB 1.251 43.295 42.059 -0.026 0.000 1.256 267 L HN 0.680 nan 8.230 nan 0.000 0.413 268 I N 5.326 125.818 120.570 -0.129 0.000 2.433 268 I HA 0.586 4.756 4.170 0.000 0.000 0.292 268 I C -1.238 174.616 176.117 -0.439 0.000 1.001 268 I CA -0.683 60.441 61.300 -0.294 0.000 1.119 268 I CB 1.762 39.530 38.000 -0.387 0.000 1.289 268 I HN 0.408 nan 8.210 nan 0.000 0.438 269 V N 8.009 127.666 119.914 -0.429 0.000 2.384 269 V HA 0.302 4.422 4.120 0.000 0.000 0.287 269 V C -1.093 174.665 176.094 -0.560 0.000 1.020 269 V CA -0.473 61.601 62.300 -0.376 0.000 0.850 269 V CB 1.120 32.873 31.823 -0.115 0.000 0.987 269 V HN 0.482 nan 8.190 nan 0.000 0.436 270 Y N 2.426 122.593 120.300 -0.221 0.000 2.594 270 Y HA 0.426 4.976 4.550 0.000 0.000 0.342 270 Y C 0.376 176.124 175.900 -0.253 0.000 1.010 270 Y CA -0.882 57.061 58.100 -0.263 0.000 1.270 270 Y CB 0.597 38.910 38.460 -0.244 0.000 1.125 270 Y HN 0.517 nan 8.280 nan 0.000 0.513 271 D N 3.709 123.974 120.400 -0.225 0.000 2.479 271 D HA 0.188 4.828 4.640 0.000 0.000 0.247 271 D C -1.176 175.071 176.300 -0.088 0.000 1.119 271 D CA -0.308 53.595 54.000 -0.162 0.000 0.922 271 D CB 0.209 40.866 40.800 -0.237 0.000 1.014 271 D HN 0.704 nan 8.370 nan 0.000 0.510 272 D N 0.108 120.487 120.400 -0.034 0.000 2.596 272 D HA 0.217 4.857 4.640 0.000 0.000 0.234 272 D C 1.072 177.350 176.300 -0.037 0.000 1.181 272 D CA -0.736 53.246 54.000 -0.031 0.000 0.856 272 D CB 1.199 41.994 40.800 -0.008 0.000 1.498 272 D HN 0.010 nan 8.370 nan 0.000 0.446 273 L N 0.378 121.545 121.223 -0.093 0.000 2.275 273 L HA -0.084 4.256 4.340 0.000 0.000 0.215 273 L C 1.854 178.720 176.870 -0.006 0.000 1.119 273 L CA 0.791 55.540 54.840 -0.151 0.000 0.790 273 L CB -0.522 41.238 42.059 -0.498 0.000 0.919 273 L HN 0.458 nan 8.230 nan 0.000 0.443 274 S N 0.350 116.053 115.700 0.004 0.000 2.359 274 S HA -0.213 4.257 4.470 0.000 0.000 0.224 274 S C 1.924 176.599 174.600 0.125 0.000 1.035 274 S CA 1.472 59.716 58.200 0.074 0.000 1.018 274 S CB -0.147 63.091 63.200 0.062 0.000 0.876 274 S HN 0.433 nan 8.310 nan 0.000 0.448 275 K N 0.862 121.318 120.400 0.094 0.000 2.228 275 K HA 0.006 4.326 4.320 0.000 0.000 0.202 275 K C 2.443 179.123 176.600 0.133 0.000 1.051 275 K CA 0.564 56.916 56.287 0.108 0.000 0.960 275 K CB -0.108 32.437 32.500 0.075 0.000 0.743 275 K HN 0.346 nan 8.250 nan 0.000 0.458 276 Q N 0.936 120.810 119.800 0.123 0.000 2.050 276 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 276 Q C 2.096 178.237 176.000 0.236 0.000 0.980 276 Q CA 1.597 57.491 55.803 0.153 0.000 0.840 276 Q CB -0.097 28.695 28.738 0.090 0.000 0.898 276 Q HN 0.312 nan 8.270 nan 0.000 0.424 277 A N 0.222 123.194 122.820 0.252 0.000 1.883 277 A HA -0.177 4.143 4.320 0.000 0.000 0.217 277 A C 2.264 180.110 177.584 0.436 0.000 1.186 277 A CA 1.787 53.999 52.037 0.293 0.000 0.624 277 A CB -0.999 18.132 19.000 0.218 0.000 0.822 277 A HN 0.312 nan 8.150 nan 0.000 0.444 278 V N -0.165 119.966 119.914 0.360 0.000 2.324 278 V HA -0.308 3.812 4.120 0.000 0.000 0.250 278 V C 3.049 179.256 176.094 0.188 0.000 1.060 278 V CA 2.126 64.582 62.300 0.261 0.000 1.042 278 V CB -1.238 30.695 31.823 0.183 0.000 0.650 278 V HN 0.654 nan 8.190 nan 0.000 0.450 279 A N -1.253 121.689 122.820 0.203 0.000 1.933 279 A HA -0.268 4.052 4.320 0.000 0.000 0.218 279 A C 2.151 179.860 177.584 0.209 0.000 1.175 279 A CA 2.017 54.166 52.037 0.188 0.000 0.628 279 A CB -0.743 18.383 19.000 0.210 0.000 0.814 279 A HN 0.625 nan 8.150 nan 0.000 0.444 280 Y N 0.242 120.631 120.300 0.148 0.000 2.242 280 Y HA -0.139 4.411 4.550 0.000 0.000 0.291 280 Y C 2.472 178.403 175.900 0.053 0.000 1.137 280 Y CA 1.845 59.991 58.100 0.077 0.000 1.181 280 Y CB -0.287 38.254 38.460 0.134 0.000 0.989 280 Y HN 0.327 nan 8.280 nan 0.000 0.527 281 R N 0.132 120.704 120.500 0.120 0.000 2.115 281 R HA -0.211 4.129 4.340 0.000 0.000 0.230 281 R C 2.387 178.620 176.300 -0.112 0.000 1.111 281 R CA 1.665 57.744 56.100 -0.036 0.000 0.976 281 R CB -0.273 29.951 30.300 -0.126 0.000 0.870 281 R HN 0.525 nan 8.270 nan 0.000 0.445 282 Q N 0.464 120.228 119.800 -0.059 0.000 2.084 282 Q HA -0.155 4.186 4.340 0.000 0.000 0.202 282 Q C 2.086 178.028 176.000 -0.098 0.000 0.978 282 Q CA 1.551 57.319 55.803 -0.060 0.000 0.844 282 Q CB -0.037 28.696 28.738 -0.009 0.000 0.898 282 Q HN 0.416 nan 8.270 nan 0.000 0.426 283 L N -0.026 121.111 121.223 -0.144 0.000 2.017 283 L HA -0.158 4.182 4.340 0.000 0.000 0.208 283 L C 2.607 179.334 176.870 -0.240 0.000 1.073 283 L CA 1.229 55.955 54.840 -0.190 0.000 0.745 283 L CB -0.488 41.411 42.059 -0.266 0.000 0.894 283 L HN 0.157 nan 8.230 nan 0.000 0.432 284 S N 0.099 115.586 115.700 -0.354 0.000 2.368 284 S HA -0.091 4.379 4.470 0.000 0.000 0.225 284 S C 1.995 176.496 174.600 -0.166 0.000 1.030 284 S CA 1.190 59.207 58.200 -0.305 0.000 0.999 284 S CB -0.260 62.720 63.200 -0.366 0.000 0.844 284 S HN 0.266 nan 8.310 nan 0.000 0.459 285 L N 0.813 121.952 121.223 -0.141 0.000 2.072 285 L HA 0.000 4.340 4.340 0.000 0.000 0.205 285 L C 2.080 178.904 176.870 -0.077 0.000 1.079 285 L CA 0.920 55.703 54.840 -0.096 0.000 0.752 285 L CB -0.496 41.508 42.059 -0.092 0.000 0.906 285 L HN 0.268 nan 8.230 nan 0.000 0.436 286 L N -0.554 120.622 121.223 -0.079 0.000 2.291 286 L HA -0.140 4.200 4.340 0.000 0.000 0.214 286 L C 2.033 178.872 176.870 -0.052 0.000 1.120 286 L CA 0.727 55.532 54.840 -0.057 0.000 0.799 286 L CB -0.192 41.838 42.059 -0.049 0.000 0.925 286 L HN 0.279 nan 8.230 nan 0.000 0.446 287 L N -0.682 120.499 121.223 -0.069 0.000 2.591 287 L HA 0.094 4.434 4.340 0.000 0.000 0.228 287 L C 0.716 177.558 176.870 -0.048 0.000 1.133 287 L CA 0.097 54.903 54.840 -0.056 0.000 0.880 287 L CB -0.112 41.904 42.059 -0.072 0.000 1.033 287 L HN 0.224 nan 8.230 nan 0.000 0.450 288 R N 0.157 120.627 120.500 -0.051 0.000 3.656 288 R HA -0.150 4.190 4.340 0.000 0.000 0.297 288 R C -0.033 176.245 176.300 -0.036 0.000 1.166 288 R CA 0.365 56.442 56.100 -0.039 0.000 0.799 288 R CB -1.555 28.730 30.300 -0.026 0.000 1.285 288 R HN 0.393 nan 8.270 nan 0.000 0.477 289 R N 0.915 121.386 120.500 -0.049 0.000 2.582 289 R HA 0.224 4.564 4.340 0.000 0.000 0.271 289 R C -2.106 174.178 176.300 -0.028 0.000 1.078 289 R CA -1.671 54.407 56.100 -0.036 0.000 1.127 289 R CB 0.292 30.563 30.300 -0.047 0.000 1.038 289 R HN -0.131 nan 8.270 nan 0.000 0.500 290 P HA 0.041 nan 4.420 nan 0.000 0.263 290 P C -2.347 174.948 177.300 -0.008 0.000 1.195 290 P CA -0.811 62.283 63.100 -0.010 0.000 0.762 290 P CB 0.137 31.836 31.700 -0.001 0.000 0.799 291 P HA 0.320 nan 4.420 nan 0.000 0.286 291 P C -0.020 177.267 177.300 -0.022 0.000 1.261 291 P CA -0.069 63.017 63.100 -0.024 0.000 0.821 291 P CB 1.702 33.376 31.700 -0.044 0.000 1.013 292 G N 1.730 110.517 108.800 -0.023 0.000 3.234 292 G HA2 0.382 4.342 3.960 0.000 0.000 0.159 292 G HA3 0.382 4.342 3.960 0.000 0.000 0.159 292 G C -0.607 174.237 174.900 -0.093 0.000 1.175 292 G CA -0.903 44.162 45.100 -0.058 0.000 0.900 292 G HN 0.569 nan 8.290 nan 0.000 0.621 293 R N 0.594 120.978 120.500 -0.195 0.000 2.504 293 R HA 0.103 4.443 4.340 0.000 0.000 0.291 293 R C 0.136 176.391 176.300 -0.076 0.000 0.974 293 R CA 1.103 57.080 56.100 -0.206 0.000 1.077 293 R CB -0.355 29.700 30.300 -0.407 0.000 0.926 293 R HN 0.679 nan 8.270 nan 0.000 0.407 294 E N 2.890 123.092 120.200 0.003 0.000 2.660 294 E HA -0.337 4.013 4.350 0.000 0.000 0.260 294 E C 0.274 176.815 176.600 -0.098 0.000 1.122 294 E CA 0.516 56.941 56.400 0.043 0.000 0.755 294 E CB -1.334 28.506 29.700 0.234 0.000 1.345 294 E HN 0.892 nan 8.360 nan 0.000 0.421 295 A N -2.226 120.536 122.820 -0.095 0.000 2.861 295 A HA -0.300 4.020 4.320 0.000 0.000 0.261 295 A C -0.017 177.455 177.584 -0.186 0.000 1.351 295 A CA 1.711 53.663 52.037 -0.143 0.000 0.904 295 A CB -2.109 16.793 19.000 -0.163 0.000 1.076 295 A HN 0.437 nan 8.150 nan 0.000 0.729 296 Y N 0.433 120.737 120.300 0.007 0.000 2.304 296 Y HA 0.461 5.011 4.550 0.000 0.000 0.327 296 Y C -1.253 174.681 175.900 0.057 0.000 1.209 296 Y CA -1.333 56.814 58.100 0.079 0.000 1.299 296 Y CB 0.421 39.007 38.460 0.211 0.000 1.249 296 Y HN 0.248 nan 8.280 nan 0.000 0.519 297 P HA 0.043 nan 4.420 nan 0.000 0.274 297 P C 0.507 177.953 177.300 0.243 0.000 1.237 297 P CA -0.186 63.025 63.100 0.185 0.000 0.793 297 P CB 0.859 32.655 31.700 0.160 0.000 0.977 298 G N 1.005 109.908 108.800 0.172 0.000 2.916 298 G HA2 -0.135 3.825 3.960 0.000 0.000 0.205 298 G HA3 -0.135 3.825 3.960 0.000 0.000 0.205 298 G C 0.379 175.412 174.900 0.223 0.000 1.163 298 G CA 0.187 45.388 45.100 0.169 0.000 0.821 298 G HN 0.646 nan 8.290 nan 0.000 0.515 299 D N -1.027 119.554 120.400 0.301 0.000 2.620 299 D HA 0.049 4.689 4.640 0.000 0.000 0.260 299 D C 1.391 177.899 176.300 0.347 0.000 1.367 299 D CA -0.453 53.760 54.000 0.356 0.000 0.805 299 D CB -0.099 40.931 40.800 0.382 0.000 1.096 299 D HN 0.019 nan 8.370 nan 0.000 0.488 300 V N -0.173 119.942 119.914 0.336 0.000 2.453 300 V HA -0.068 4.052 4.120 0.000 0.000 0.247 300 V C 1.835 177.933 176.094 0.007 0.000 1.048 300 V CA 1.212 63.608 62.300 0.160 0.000 1.049 300 V CB -0.654 31.320 31.823 0.252 0.000 0.672 300 V HN 0.218 nan 8.190 nan 0.000 0.457 301 F N 0.120 120.087 119.950 0.027 0.000 2.095 301 F HA -0.248 4.279 4.527 0.000 0.000 0.298 301 F C 2.220 178.062 175.800 0.070 0.000 1.104 301 F CA 2.500 60.502 58.000 0.002 0.000 1.232 301 F CB -0.653 38.371 39.000 0.039 0.000 0.987 301 F HN 0.367 nan 8.300 nan 0.000 0.475 302 Y N 0.671 121.099 120.300 0.213 0.000 2.207 302 Y HA -0.253 4.297 4.550 0.000 0.000 0.287 302 Y C 2.181 178.063 175.900 -0.029 0.000 1.156 302 Y CA 1.750 59.918 58.100 0.114 0.000 1.182 302 Y CB -1.031 37.512 38.460 0.139 0.000 0.979 302 Y HN 0.245 nan 8.280 nan 0.000 0.521 303 L N -0.208 120.908 121.223 -0.178 0.000 1.990 303 L HA -0.303 4.037 4.340 0.000 0.000 0.213 303 L C 2.344 179.094 176.870 -0.199 0.000 1.072 303 L CA 2.539 57.202 54.840 -0.295 0.000 0.755 303 L CB -0.847 40.909 42.059 -0.506 0.000 0.889 303 L HN 0.359 nan 8.230 nan 0.000 0.432 304 H N -1.831 117.075 119.070 -0.273 0.000 2.470 304 H HA -0.044 4.512 4.556 0.000 0.000 0.289 304 H C 2.323 177.430 175.328 -0.369 0.000 1.033 304 H CA 0.805 56.636 56.048 -0.361 0.000 1.331 304 H CB 0.127 29.654 29.762 -0.392 0.000 1.414 304 H HN 0.552 nan 8.280 nan 0.000 0.545 305 S N 0.645 116.176 115.700 -0.283 0.000 2.387 305 S HA -0.087 4.383 4.470 0.000 0.000 0.226 305 S C 1.996 176.538 174.600 -0.096 0.000 1.026 305 S CA 0.357 58.415 58.200 -0.237 0.000 0.972 305 S CB -0.003 63.047 63.200 -0.250 0.000 0.814 305 S HN 0.299 nan 8.310 nan 0.000 0.477 306 R N 0.283 120.723 120.500 -0.100 0.000 2.096 306 R HA 0.032 4.372 4.340 0.000 0.000 0.235 306 R C 2.349 178.658 176.300 0.014 0.000 1.127 306 R CA 1.432 57.490 56.100 -0.070 0.000 0.968 306 R CB -0.561 29.600 30.300 -0.232 0.000 0.861 306 R HN 0.448 nan 8.270 nan 0.000 0.440 307 L N 0.644 121.866 121.223 -0.003 0.000 2.044 307 L HA -0.097 4.243 4.340 0.000 0.000 0.205 307 L C 1.901 178.690 176.870 -0.135 0.000 1.075 307 L CA 1.633 56.397 54.840 -0.127 0.000 0.747 307 L CB -0.173 41.577 42.059 -0.516 0.000 0.903 307 L HN 0.110 nan 8.230 nan 0.000 0.435 308 L N -0.890 120.245 121.223 -0.147 0.000 2.209 308 L HA -0.022 4.318 4.340 0.000 0.000 0.207 308 L C 2.315 179.166 176.870 -0.032 0.000 1.094 308 L CA 0.395 55.177 54.840 -0.096 0.000 0.790 308 L CB -0.494 41.482 42.059 -0.140 0.000 0.932 308 L HN 0.246 nan 8.230 nan 0.000 0.447 309 E N 0.426 120.610 120.200 -0.028 0.000 2.409 309 E HA -0.150 4.200 4.350 0.000 0.000 0.198 309 E C 2.017 178.629 176.600 0.020 0.000 1.024 309 E CA 0.536 56.937 56.400 0.002 0.000 0.861 309 E CB -0.001 29.706 29.700 0.013 0.000 0.788 309 E HN 0.465 nan 8.360 nan 0.000 0.521 310 R N 0.651 121.167 120.500 0.027 0.000 2.189 310 R HA 0.054 4.394 4.340 0.000 0.000 0.218 310 R C 0.918 177.250 176.300 0.053 0.000 1.074 310 R CA 0.443 56.571 56.100 0.046 0.000 0.991 310 R CB 0.047 30.386 30.300 0.065 0.000 0.883 310 R HN -0.064 nan 8.270 nan 0.000 0.457 311 A N 1.139 123.991 122.820 0.053 0.000 2.409 311 A HA 0.581 4.901 4.320 0.000 0.000 0.267 311 A C -0.180 177.425 177.584 0.035 0.000 1.127 311 A CA 0.124 52.190 52.037 0.050 0.000 0.795 311 A CB 0.394 19.424 19.000 0.049 0.000 1.061 311 A HN 0.314 nan 8.150 nan 0.000 0.502 312 A N 2.295 125.136 122.820 0.036 0.000 2.564 312 A HA 0.747 5.067 4.320 0.000 0.000 0.291 312 A C -0.925 176.682 177.584 0.038 0.000 1.102 312 A CA -0.724 51.332 52.037 0.032 0.000 0.660 312 A CB 1.022 20.038 19.000 0.026 0.000 1.283 312 A HN 0.896 nan 8.150 nan 0.000 0.430 313 K N 1.127 121.551 120.400 0.041 0.000 2.425 313 K HA 0.673 4.993 4.320 0.000 0.000 0.259 313 K C -1.288 175.337 176.600 0.041 0.000 0.978 313 K CA -0.260 56.061 56.287 0.057 0.000 0.883 313 K CB 0.363 32.910 32.500 0.079 0.000 1.110 313 K HN 0.600 nan 8.250 nan 0.000 0.436 314 L N 2.925 124.165 121.223 0.028 0.000 2.453 314 L HA 0.328 4.668 4.340 0.000 0.000 0.261 314 L C 0.722 177.601 176.870 0.014 0.000 1.179 314 L CA -0.599 54.246 54.840 0.009 0.000 0.813 314 L CB 1.231 43.281 42.059 -0.016 0.000 1.110 314 L HN 0.879 nan 8.230 nan 0.000 0.466 315 S N 0.128 115.829 115.700 0.002 0.000 2.617 315 S HA 0.083 4.553 4.470 0.000 0.000 0.259 315 S C 0.801 175.399 174.600 -0.003 0.000 1.301 315 S CA -0.558 57.640 58.200 -0.002 0.000 0.984 315 S CB 0.930 64.124 63.200 -0.009 0.000 0.954 315 S HN 0.669 nan 8.310 nan 0.000 0.572 316 E N 0.423 120.619 120.200 -0.006 0.000 2.077 316 E HA -0.176 4.174 4.350 0.000 0.000 0.193 316 E C 1.993 178.586 176.600 -0.011 0.000 0.989 316 E CA 1.023 57.420 56.400 -0.005 0.000 0.800 316 E CB -0.177 29.519 29.700 -0.007 0.000 0.746 316 E HN 0.701 nan 8.360 nan 0.000 0.452 317 K N 0.902 121.294 120.400 -0.013 0.000 2.113 317 K HA -0.221 4.099 4.320 0.000 0.000 0.208 317 K C 1.463 178.051 176.600 -0.021 0.000 1.047 317 K CA 1.420 57.697 56.287 -0.016 0.000 0.928 317 K CB 0.075 32.567 32.500 -0.014 0.000 0.716 317 K HN -0.111 nan 8.250 nan 0.000 0.446 318 E N -1.461 118.725 120.200 -0.024 0.000 2.465 318 E HA 0.116 4.466 4.350 0.000 0.000 0.195 318 E C 0.213 176.784 176.600 -0.048 0.000 1.028 318 E CA 0.530 56.909 56.400 -0.034 0.000 0.899 318 E CB 0.801 30.483 29.700 -0.030 0.000 1.032 318 E HN 0.511 nan 8.360 nan 0.000 0.468 319 G N -0.484 108.291 108.800 -0.041 0.000 2.159 319 G HA2 -0.314 3.646 3.960 0.000 0.000 0.227 319 G HA3 -0.314 3.646 3.960 0.000 0.000 0.227 319 G C 0.717 175.588 174.900 -0.049 0.000 0.986 319 G CA 0.184 45.253 45.100 -0.052 0.000 0.651 319 G HN 0.316 nan 8.290 nan 0.000 0.523 320 S N -1.733 113.952 115.700 -0.025 0.000 3.143 320 S HA -0.194 4.276 4.470 0.000 0.000 0.291 320 S C 1.909 176.490 174.600 -0.031 0.000 1.294 320 S CA 1.740 59.947 58.200 0.012 0.000 1.115 320 S CB -1.559 61.676 63.200 0.058 0.000 1.318 320 S HN 2.255 nan 8.310 nan 0.000 0.685 321 G N 0.335 109.052 108.800 -0.138 0.000 2.716 321 G HA2 0.482 4.442 3.960 0.000 0.000 0.251 321 G HA3 0.482 4.442 3.960 0.000 0.000 0.251 321 G C -0.204 174.594 174.900 -0.170 0.000 1.224 321 G CA 0.393 45.310 45.100 -0.306 0.000 0.891 321 G HN 0.476 nan 8.290 nan 0.000 0.561 322 S N -1.413 114.182 115.700 -0.175 0.000 2.541 322 S HA 0.536 5.006 4.470 0.000 0.000 0.271 322 S C -1.603 173.036 174.600 0.064 0.000 1.133 322 S CA -0.472 57.759 58.200 0.052 0.000 0.876 322 S CB 1.623 65.022 63.200 0.332 0.000 1.105 322 S HN 0.696 nan 8.310 nan 0.000 0.470 323 L N 3.145 124.407 121.223 0.065 0.000 2.406 323 L HA 0.701 5.041 4.340 0.000 0.000 0.272 323 L C -0.895 176.001 176.870 0.043 0.000 0.980 323 L CA 0.267 55.146 54.840 0.065 0.000 0.831 323 L CB 1.835 43.937 42.059 0.071 0.000 1.253 323 L HN 0.626 nan 8.230 nan 0.000 0.406 324 T N 4.151 118.719 114.554 0.024 0.000 2.829 324 T HA 0.857 5.207 4.350 0.000 0.000 0.280 324 T C -0.597 174.089 174.700 -0.024 0.000 0.999 324 T CA -0.328 61.772 62.100 -0.000 0.000 0.983 324 T CB 1.571 70.429 68.868 -0.017 0.000 0.968 324 T HN 0.776 nan 8.240 nan 0.000 0.446 325 A N 3.418 126.228 122.820 -0.017 0.000 2.318 325 A HA 0.743 5.063 4.320 0.000 0.000 0.317 325 A C -0.512 177.052 177.584 -0.032 0.000 1.159 325 A CA -0.685 51.334 52.037 -0.031 0.000 0.799 325 A CB 0.454 19.504 19.000 0.083 0.000 1.194 325 A HN 0.861 nan 8.150 nan 0.000 0.479 326 L N 4.888 126.068 121.223 -0.072 0.000 2.426 326 L HA 0.319 4.659 4.340 0.000 0.000 0.255 326 L C -2.244 174.606 176.870 -0.032 0.000 1.080 326 L CA -1.777 53.037 54.840 -0.044 0.000 0.960 326 L CB 1.148 43.185 42.059 -0.037 0.000 1.326 326 L HN 0.480 nan 8.230 nan 0.000 0.441 327 P HA 0.105 nan 4.420 nan 0.000 0.271 327 P C -0.409 176.872 177.300 -0.032 0.000 1.216 327 P CA -0.080 63.042 63.100 0.036 0.000 0.776 327 P CB 1.870 33.551 31.700 -0.031 0.000 0.881 328 V N 4.832 124.724 119.914 -0.035 0.000 2.483 328 V HA 0.396 4.516 4.120 0.000 0.000 0.295 328 V C 0.465 176.527 176.094 -0.053 0.000 1.035 328 V CA -0.551 61.730 62.300 -0.032 0.000 0.896 328 V CB 1.548 33.365 31.823 -0.010 0.000 0.986 328 V HN 0.431 nan 8.190 nan 0.000 0.447 329 I N 3.540 124.086 120.570 -0.041 0.000 2.498 329 I HA 0.410 4.580 4.170 0.000 0.000 0.290 329 I C -0.081 176.042 176.117 0.010 0.000 1.032 329 I CA -0.364 60.914 61.300 -0.037 0.000 1.073 329 I CB 2.111 40.067 38.000 -0.073 0.000 1.251 329 I HN 0.750 nan 8.210 nan 0.000 0.426 330 E N 5.315 125.530 120.200 0.025 0.000 2.146 330 E HA 0.360 4.710 4.350 0.000 0.000 0.282 330 E C -0.582 176.055 176.600 0.061 0.000 0.989 330 E CA -0.376 56.051 56.400 0.046 0.000 0.799 330 E CB 1.123 30.849 29.700 0.043 0.000 1.088 330 E HN 0.671 nan 8.360 nan 0.000 0.397 331 T N 2.272 116.875 114.554 0.081 0.000 2.899 331 T HA 0.277 4.627 4.350 0.000 0.000 0.284 331 T C -0.028 174.717 174.700 0.076 0.000 1.004 331 T CA -1.013 61.143 62.100 0.092 0.000 1.043 331 T CB 1.382 70.334 68.868 0.139 0.000 1.013 331 T HN 0.343 nan 8.240 nan 0.000 0.518 332 Q N 0.759 120.606 119.800 0.077 0.000 2.372 332 Q HA 0.467 4.807 4.340 0.000 0.000 0.259 332 Q C 1.015 177.051 176.000 0.060 0.000 0.993 332 Q CA 0.035 55.877 55.803 0.066 0.000 0.854 332 Q CB 0.961 29.742 28.738 0.071 0.000 1.231 332 Q HN 1.269 nan 8.270 nan 0.000 0.462 333 G N 1.867 110.695 108.800 0.047 0.000 2.249 333 G HA2 -0.241 3.719 3.960 0.000 0.000 0.273 333 G HA3 -0.241 3.719 3.960 0.000 0.000 0.273 333 G C 0.808 175.730 174.900 0.038 0.000 1.036 333 G CA 0.743 45.866 45.100 0.038 0.000 0.824 333 G HN 1.281 nan 8.290 nan 0.000 0.504 334 G N -0.905 107.920 108.800 0.043 0.000 2.162 334 G HA2 -0.250 3.710 3.960 0.000 0.000 0.260 334 G HA3 -0.250 3.710 3.960 0.000 0.000 0.260 334 G C 0.259 175.223 174.900 0.106 0.000 0.976 334 G CA 0.944 46.072 45.100 0.047 0.000 0.655 334 G HN 1.372 nan 8.290 nan 0.000 0.533 335 D N 1.018 121.478 120.400 0.101 0.000 2.416 335 D HA 0.372 5.012 4.640 0.000 0.000 0.240 335 D C 1.932 178.303 176.300 0.118 0.000 1.250 335 D CA 0.339 54.401 54.000 0.103 0.000 0.967 335 D CB 0.556 41.408 40.800 0.086 0.000 1.059 335 D HN 0.599 nan 8.370 nan 0.000 0.512 336 V N 1.239 121.237 119.914 0.140 0.000 3.141 336 V HA -0.045 4.075 4.120 0.000 0.000 0.265 336 V C 1.677 177.809 176.094 0.063 0.000 1.126 336 V CA 0.838 63.198 62.300 0.101 0.000 1.141 336 V CB -0.279 31.602 31.823 0.097 0.000 0.743 336 V HN 0.279 nan 8.190 nan 0.000 0.492 337 S N 0.659 116.405 115.700 0.078 0.000 2.496 337 S HA 0.448 4.918 4.470 0.000 0.000 0.224 337 S C 1.382 176.040 174.600 0.097 0.000 0.996 337 S CA 0.445 58.691 58.200 0.076 0.000 0.927 337 S CB -0.224 63.021 63.200 0.075 0.000 0.774 337 S HN 0.908 nan 8.310 nan 0.000 0.524 338 A N 0.764 123.646 122.820 0.103 0.000 2.475 338 A HA 0.199 4.519 4.320 0.000 0.000 0.239 338 A C 0.908 178.586 177.584 0.156 0.000 1.087 338 A CA -0.037 52.084 52.037 0.139 0.000 0.779 338 A CB -0.225 18.854 19.000 0.133 0.000 1.036 338 A HN 0.348 nan 8.150 nan 0.000 0.506 339 Y N 1.110 121.448 120.300 0.063 0.000 2.070 339 Y HA -0.233 4.317 4.550 0.000 0.000 0.280 339 Y C 1.996 177.884 175.900 -0.020 0.000 1.148 339 Y CA 2.363 60.483 58.100 0.034 0.000 1.125 339 Y CB -0.184 38.310 38.460 0.057 0.000 0.975 339 Y HN 0.515 nan 8.280 nan 0.000 0.492 340 I N 0.471 120.943 120.570 -0.164 0.000 2.142 340 I HA -0.207 3.963 4.170 0.000 0.000 0.240 340 I C -0.372 175.650 176.117 -0.158 0.000 1.078 340 I CA 1.478 62.628 61.300 -0.250 0.000 1.343 340 I CB -2.809 35.090 38.000 -0.168 0.000 1.046 340 I HN 0.178 nan 8.210 nan 0.000 0.405 341 P HA -0.134 nan 4.420 nan 0.000 0.216 341 P C 1.860 179.109 177.300 -0.085 0.000 1.153 341 P CA 1.836 64.894 63.100 -0.069 0.000 0.858 341 P CB -0.186 31.507 31.700 -0.011 0.000 0.789 342 T N -0.593 113.917 114.554 -0.073 0.000 2.652 342 T HA -0.159 4.191 4.350 0.000 0.000 0.267 342 T C 1.610 176.279 174.700 -0.053 0.000 1.039 342 T CA 1.617 63.687 62.100 -0.050 0.000 1.153 342 T CB -0.983 67.875 68.868 -0.016 0.000 0.863 342 T HN 0.119 nan 8.240 nan 0.000 0.428 343 N N 1.022 119.652 118.700 -0.117 0.000 2.000 343 N HA -0.102 4.638 4.740 0.000 0.000 0.198 343 N C 2.056 177.518 175.510 -0.079 0.000 1.057 343 N CA 1.181 54.227 53.050 -0.007 0.000 0.858 343 N CB -1.113 37.300 38.487 -0.125 0.000 1.057 343 N HN 0.195 nan 8.380 nan 0.000 0.423 344 V N 1.962 121.780 119.914 -0.160 0.000 2.332 344 V HA -0.206 3.914 4.120 0.000 0.000 0.248 344 V C 2.371 178.377 176.094 -0.146 0.000 1.055 344 V CA 1.275 63.453 62.300 -0.204 0.000 1.038 344 V CB -0.572 31.097 31.823 -0.257 0.000 0.651 344 V HN 0.251 nan 8.190 nan 0.000 0.450 345 I N 1.244 121.742 120.570 -0.120 0.000 2.151 345 I HA -0.304 3.866 4.170 0.000 0.000 0.243 345 I C 2.651 178.730 176.117 -0.063 0.000 1.080 345 I CA 2.189 63.424 61.300 -0.108 0.000 1.339 345 I CB -0.485 37.448 38.000 -0.112 0.000 1.039 345 I HN 0.526 nan 8.210 nan 0.000 0.409 346 S N 0.367 116.058 115.700 -0.015 0.000 2.481 346 S HA -0.030 4.440 4.470 0.000 0.000 0.231 346 S C 1.818 176.441 174.600 0.039 0.000 0.996 346 S CA 0.659 58.882 58.200 0.038 0.000 0.942 346 S CB -0.571 62.698 63.200 0.114 0.000 0.768 346 S HN 0.441 nan 8.310 nan 0.000 0.520 347 I N 2.157 122.712 120.570 -0.024 0.000 2.480 347 I HA -0.009 4.162 4.170 0.000 0.000 0.251 347 I C 1.566 177.650 176.117 -0.055 0.000 1.124 347 I CA 0.782 62.045 61.300 -0.061 0.000 1.444 347 I CB -0.635 37.245 38.000 -0.199 0.000 1.098 347 I HN 0.396 nan 8.210 nan 0.000 0.428 348 T N -1.888 112.623 114.554 -0.072 0.000 2.754 348 T HA 0.078 4.428 4.350 0.000 0.000 0.286 348 T C 0.506 175.181 174.700 -0.041 0.000 0.997 348 T CA -0.504 61.558 62.100 -0.062 0.000 0.982 348 T CB 0.771 69.591 68.868 -0.080 0.000 1.027 348 T HN 0.043 nan 8.240 nan 0.000 0.529 349 D N 0.298 120.678 120.400 -0.034 0.000 2.319 349 D HA 0.351 4.991 4.640 0.000 0.000 0.230 349 D C 0.988 177.271 176.300 -0.029 0.000 1.094 349 D CA 0.466 54.452 54.000 -0.023 0.000 0.856 349 D CB -0.050 40.740 40.800 -0.015 0.000 0.915 349 D HN 0.925 nan 8.370 nan 0.000 0.517 350 G N 0.122 108.896 108.800 -0.044 0.000 2.356 350 G HA2 0.220 4.180 3.960 0.000 0.000 0.300 350 G HA3 0.220 4.180 3.960 0.000 0.000 0.300 350 G C -1.862 172.993 174.900 -0.074 0.000 1.331 350 G CA -0.919 44.151 45.100 -0.050 0.000 0.905 350 G HN -0.018 nan 8.290 nan 0.000 0.587 351 Q N -0.824 118.928 119.800 -0.080 0.000 2.315 351 Q HA 0.681 5.021 4.340 0.000 0.000 0.273 351 Q C -0.646 175.323 176.000 -0.052 0.000 1.053 351 Q CA -0.388 55.343 55.803 -0.120 0.000 0.817 351 Q CB 2.528 31.113 28.738 -0.254 0.000 1.326 351 Q HN 0.623 nan 8.270 nan 0.000 0.423 352 I N 2.589 123.148 120.570 -0.019 0.000 2.328 352 I HA 0.345 4.515 4.170 0.000 0.000 0.287 352 I C -0.882 175.323 176.117 0.147 0.000 1.012 352 I CA -0.606 60.729 61.300 0.057 0.000 1.195 352 I CB 0.571 38.599 38.000 0.047 0.000 1.350 352 I HN 0.401 nan 8.210 nan 0.000 0.464 353 F N 7.567 127.520 119.950 0.004 0.000 2.404 353 F HA 0.548 5.075 4.527 0.000 0.000 0.354 353 F C -0.408 175.396 175.800 0.006 0.000 1.122 353 F CA -1.155 56.847 58.000 0.004 0.000 1.080 353 F CB 1.033 40.037 39.000 0.007 0.000 1.131 353 F HN 0.192 nan 8.300 nan 0.000 0.471 354 L N 4.944 126.292 121.223 0.207 0.000 2.325 354 L HA 0.508 4.848 4.340 0.000 0.000 0.278 354 L C -0.396 176.404 176.870 -0.117 0.000 1.023 354 L CA -0.522 54.335 54.840 0.027 0.000 0.811 354 L CB 1.933 44.022 42.059 0.050 0.000 1.249 354 L HN 0.474 nan 8.230 nan 0.000 0.431 355 E N 0.619 120.745 120.200 -0.122 0.000 2.272 355 E HA 0.400 4.750 4.350 0.000 0.000 0.269 355 E C 0.051 176.564 176.600 -0.145 0.000 0.877 355 E CA -0.523 55.778 56.400 -0.165 0.000 0.755 355 E CB 2.284 31.873 29.700 -0.184 0.000 1.192 355 E HN 0.706 nan 8.360 nan 0.000 0.422 356 A N 3.027 125.736 122.820 -0.184 0.000 1.883 356 A HA -0.240 4.080 4.320 0.000 0.000 0.217 356 A C 1.697 179.057 177.584 -0.373 0.000 1.186 356 A CA 1.547 53.383 52.037 -0.335 0.000 0.624 356 A CB -0.343 18.552 19.000 -0.175 0.000 0.822 356 A HN 0.703 nan 8.150 nan 0.000 0.444 357 E N -0.195 119.940 120.200 -0.107 0.000 2.130 357 E HA -0.209 4.141 4.350 0.000 0.000 0.196 357 E C 2.021 178.620 176.600 -0.001 0.000 0.998 357 E CA 1.380 57.791 56.400 0.019 0.000 0.806 357 E CB -0.375 29.343 29.700 0.029 0.000 0.738 357 E HN 0.695 nan 8.360 nan 0.000 0.459 358 L N -0.298 120.902 121.223 -0.038 0.000 2.109 358 L HA -0.127 4.213 4.340 0.000 0.000 0.207 358 L C 2.444 179.302 176.870 -0.021 0.000 1.086 358 L CA 0.687 55.519 54.840 -0.014 0.000 0.760 358 L CB -0.394 41.657 42.059 -0.013 0.000 0.910 358 L HN 0.057 nan 8.230 nan 0.000 0.437 359 F N 0.126 119.932 119.950 -0.240 0.000 2.102 359 F HA -0.277 4.250 4.527 0.000 0.000 0.298 359 F C 2.312 178.018 175.800 -0.156 0.000 1.105 359 F CA 1.604 59.450 58.000 -0.257 0.000 1.239 359 F CB -0.221 38.529 39.000 -0.417 0.000 0.991 359 F HN -0.025 nan 8.300 nan 0.000 0.474 360 Y N 0.103 120.529 120.300 0.210 0.000 2.421 360 Y HA -0.072 4.478 4.550 0.000 0.000 0.292 360 Y C 2.270 178.179 175.900 0.014 0.000 1.136 360 Y CA 0.821 58.990 58.100 0.114 0.000 1.255 360 Y CB -1.093 37.440 38.460 0.122 0.000 0.991 360 Y HN 0.042 nan 8.280 nan 0.000 0.552 361 K N -0.557 119.915 120.400 0.120 0.000 2.439 361 K HA 0.043 4.363 4.320 0.000 0.000 0.197 361 K C 1.477 178.076 176.600 -0.002 0.000 1.041 361 K CA 0.833 57.155 56.287 0.059 0.000 0.970 361 K CB -0.232 32.296 32.500 0.046 0.000 0.773 361 K HN 0.475 nan 8.250 nan 0.000 0.479 362 G N 0.720 109.476 108.800 -0.074 0.000 2.194 362 G HA2 -0.234 3.726 3.960 0.000 0.000 0.236 362 G HA3 -0.234 3.726 3.960 0.000 0.000 0.236 362 G C 0.153 174.962 174.900 -0.152 0.000 0.987 362 G CA -0.105 44.914 45.100 -0.135 0.000 0.635 362 G HN 0.213 nan 8.290 nan 0.000 0.520 363 I N 2.060 122.563 120.570 -0.112 0.000 2.389 363 I HA 0.353 4.523 4.170 0.000 0.000 0.295 363 I C 0.709 176.756 176.117 -0.116 0.000 1.117 363 I CA 0.282 61.534 61.300 -0.079 0.000 1.317 363 I CB 0.230 38.216 38.000 -0.023 0.000 1.431 363 I HN 0.089 nan 8.210 nan 0.000 0.521 364 R N 7.424 127.851 120.500 -0.122 0.000 2.533 364 R HA 0.410 4.750 4.340 0.000 0.000 0.288 364 R C -2.682 173.587 176.300 -0.053 0.000 1.039 364 R CA -1.870 54.161 56.100 -0.115 0.000 0.909 364 R CB 1.785 31.936 30.300 -0.247 0.000 1.195 364 R HN 0.223 nan 8.270 nan 0.000 0.438 365 P HA -0.045 nan 4.420 nan 0.000 0.266 365 P C -0.289 177.031 177.300 0.033 0.000 1.195 365 P CA -0.004 63.110 63.100 0.022 0.000 0.768 365 P CB 0.705 32.419 31.700 0.024 0.000 0.838 366 A N 4.546 127.415 122.820 0.083 0.000 2.958 366 A HA 0.156 4.476 4.320 0.000 0.000 0.247 366 A C 0.718 178.326 177.584 0.039 0.000 1.679 366 A CA -0.288 51.788 52.037 0.065 0.000 1.345 366 A CB -1.526 17.554 19.000 0.133 0.000 1.013 366 A HN 0.469 nan 8.150 nan 0.000 0.641 367 I N 1.313 121.907 120.570 0.041 0.000 2.396 367 I HA 0.030 4.200 4.170 0.000 0.000 0.289 367 I C 0.523 176.668 176.117 0.048 0.000 1.056 367 I CA -0.382 60.950 61.300 0.054 0.000 1.365 367 I CB 0.565 38.600 38.000 0.058 0.000 1.407 367 I HN 0.363 nan 8.210 nan 0.000 0.509 368 N N 6.641 125.370 118.700 0.048 0.000 2.415 368 N HA 0.064 4.804 4.740 0.000 0.000 0.250 368 N C 0.669 176.230 175.510 0.086 0.000 1.127 368 N CA 0.065 53.138 53.050 0.038 0.000 0.945 368 N CB 1.432 39.899 38.487 -0.033 0.000 1.196 368 N HN 0.416 nan 8.380 nan 0.000 0.499 369 V N 3.687 123.646 119.914 0.076 0.000 2.453 369 V HA -0.085 4.035 4.120 0.000 0.000 0.247 369 V C 2.306 178.450 176.094 0.083 0.000 1.048 369 V CA 2.045 64.393 62.300 0.080 0.000 1.049 369 V CB -0.733 31.137 31.823 0.078 0.000 0.672 369 V HN 0.760 nan 8.190 nan 0.000 0.457 370 G N -0.424 108.424 108.800 0.080 0.000 2.432 370 G HA2 -0.182 3.778 3.960 0.000 0.000 0.219 370 G HA3 -0.182 3.778 3.960 0.000 0.000 0.219 370 G C 1.551 176.507 174.900 0.093 0.000 1.135 370 G CA 0.792 45.937 45.100 0.075 0.000 0.767 370 G HN 0.479 nan 8.290 nan 0.000 0.550 371 L N 0.543 121.847 121.223 0.135 0.000 2.298 371 L HA 0.159 4.499 4.340 0.000 0.000 0.209 371 L C 1.087 178.059 176.870 0.170 0.000 1.084 371 L CA -0.057 54.907 54.840 0.207 0.000 0.816 371 L CB -0.045 42.261 42.059 0.412 0.000 0.967 371 L HN 0.016 nan 8.230 nan 0.000 0.460 372 S N 0.518 116.312 115.700 0.156 0.000 2.564 372 S HA 0.408 4.878 4.470 0.000 0.000 0.278 372 S C -0.188 174.442 174.600 0.050 0.000 1.333 372 S CA -0.531 57.727 58.200 0.097 0.000 1.048 372 S CB 1.433 64.697 63.200 0.106 0.000 0.900 372 S HN 0.122 nan 8.310 nan 0.000 0.505 373 V N -0.483 119.442 119.914 0.018 0.000 3.087 373 V HA 0.860 4.980 4.120 0.000 0.000 0.306 373 V C -0.493 175.600 176.094 -0.002 0.000 1.187 373 V CA -0.846 61.460 62.300 0.009 0.000 0.999 373 V CB 1.976 33.800 31.823 0.003 0.000 1.049 373 V HN 0.697 nan 8.190 nan 0.000 0.431 374 S N 1.243 116.944 115.700 0.001 0.000 2.718 374 S HA 0.464 4.934 4.470 0.000 0.000 0.294 374 S C 0.801 175.399 174.600 -0.004 0.000 1.157 374 S CA -0.658 57.539 58.200 -0.005 0.000 1.121 374 S CB 0.946 64.145 63.200 -0.002 0.000 1.015 374 S HN 0.812 nan 8.310 nan 0.000 0.479 375 R N 2.476 122.972 120.500 -0.007 0.000 2.170 375 R HA -0.087 4.253 4.340 0.000 0.000 0.242 375 R C 1.721 178.020 176.300 -0.000 0.000 1.145 375 R CA 1.640 57.738 56.100 -0.003 0.000 0.984 375 R CB -0.339 29.958 30.300 -0.005 0.000 0.869 375 R HN 0.562 nan 8.270 nan 0.000 0.455 376 V N -0.198 119.716 119.914 -0.001 0.000 2.323 376 V HA -0.053 4.067 4.120 0.000 0.000 0.244 376 V C 1.649 177.745 176.094 0.003 0.000 1.041 376 V CA 1.638 63.940 62.300 0.002 0.000 1.025 376 V CB -0.849 30.974 31.823 0.001 0.000 0.656 376 V HN 0.742 nan 8.190 nan 0.000 0.451 377 G N -0.106 108.695 108.800 0.001 0.000 2.528 377 G HA2 -0.361 3.599 3.960 0.000 0.000 0.262 377 G HA3 -0.361 3.599 3.960 0.000 0.000 0.262 377 G C 0.954 175.856 174.900 0.003 0.000 1.200 377 G CA 0.399 45.501 45.100 0.003 0.000 0.951 377 G HN 0.328 nan 8.290 nan 0.000 0.566 378 S N 0.486 116.189 115.700 0.006 0.000 2.381 378 S HA -0.170 4.300 4.470 0.000 0.000 0.230 378 S C 2.919 177.522 174.600 0.006 0.000 1.052 378 S CA 3.167 61.371 58.200 0.006 0.000 1.068 378 S CB -0.954 62.251 63.200 0.009 0.000 0.918 378 S HN 1.898 nan 8.310 nan 0.000 0.448 379 A N 0.919 123.746 122.820 0.012 0.000 2.009 379 A HA -0.076 4.244 4.320 0.000 0.000 0.222 379 A C 1.976 179.566 177.584 0.010 0.000 1.175 379 A CA 1.905 53.957 52.037 0.025 0.000 0.651 379 A CB -0.719 18.304 19.000 0.038 0.000 0.815 379 A HN 0.627 nan 8.150 nan 0.000 0.459 380 A N -1.779 121.034 122.820 -0.011 0.000 2.460 380 A HA 0.413 4.733 4.320 0.000 0.000 0.258 380 A C 0.638 178.189 177.584 -0.054 0.000 1.300 380 A CA 0.103 52.114 52.037 -0.043 0.000 0.913 380 A CB -0.112 18.865 19.000 -0.039 0.000 1.031 380 A HN 0.586 nan 8.150 nan 0.000 0.512 381 Q N 0.195 119.974 119.800 -0.035 0.000 2.312 381 Q HA 0.519 4.859 4.340 0.000 0.000 0.263 381 Q C -0.970 175.012 176.000 -0.030 0.000 0.995 381 Q CA -0.634 55.153 55.803 -0.028 0.000 0.853 381 Q CB 2.005 30.739 28.738 -0.007 0.000 1.300 381 Q HN 0.149 nan 8.270 nan 0.000 0.448 382 V N 4.723 124.619 119.914 -0.030 0.000 2.557 382 V HA -0.130 3.990 4.120 0.000 0.000 0.301 382 V C 1.477 177.570 176.094 -0.002 0.000 1.026 382 V CA 0.650 62.937 62.300 -0.021 0.000 1.137 382 V CB 0.592 32.411 31.823 -0.007 0.000 0.917 382 V HN 0.913 nan 8.190 nan 0.000 0.484 383 K N 4.430 124.829 120.400 -0.002 0.000 2.127 383 K HA -0.251 4.069 4.320 0.000 0.000 0.208 383 K C 2.095 178.706 176.600 0.019 0.000 1.047 383 K CA 1.864 58.157 56.287 0.009 0.000 0.927 383 K CB -0.236 32.269 32.500 0.008 0.000 0.716 383 K HN 0.874 nan 8.250 nan 0.000 0.450 384 A N 0.654 123.484 122.820 0.017 0.000 1.908 384 A HA -0.174 4.146 4.320 0.000 0.000 0.218 384 A C 2.016 179.625 177.584 0.042 0.000 1.181 384 A CA 1.438 53.490 52.037 0.025 0.000 0.627 384 A CB -0.587 18.422 19.000 0.016 0.000 0.818 384 A HN 0.343 nan 8.150 nan 0.000 0.445 385 L N -0.111 121.135 121.223 0.038 0.000 2.109 385 L HA -0.053 4.287 4.340 0.000 0.000 0.207 385 L C 2.318 179.219 176.870 0.051 0.000 1.086 385 L CA 2.410 57.279 54.840 0.049 0.000 0.760 385 L CB -0.554 41.529 42.059 0.038 0.000 0.910 385 L HN 0.507 nan 8.230 nan 0.000 0.437 386 K N -1.000 119.423 120.400 0.038 0.000 2.147 386 K HA -0.203 4.117 4.320 0.000 0.000 0.205 386 K C 1.950 178.577 176.600 0.046 0.000 1.049 386 K CA 1.437 57.745 56.287 0.035 0.000 0.936 386 K CB -0.042 32.472 32.500 0.023 0.000 0.722 386 K HN 0.486 nan 8.250 nan 0.000 0.446 387 Q N 0.077 119.909 119.800 0.054 0.000 2.170 387 Q HA -0.120 4.220 4.340 0.000 0.000 0.203 387 Q C 2.075 178.133 176.000 0.096 0.000 0.976 387 Q CA 1.735 57.578 55.803 0.068 0.000 0.858 387 Q CB 0.165 28.944 28.738 0.069 0.000 0.907 387 Q HN 0.390 nan 8.270 nan 0.000 0.433 388 V N -4.178 115.803 119.914 0.112 0.000 3.085 388 V HA 0.265 4.385 4.120 0.000 0.000 0.245 388 V C 1.999 178.157 176.094 0.108 0.000 1.114 388 V CA 0.836 63.219 62.300 0.139 0.000 1.108 388 V CB -0.448 31.492 31.823 0.195 0.000 0.798 388 V HN 0.152 nan 8.190 nan 0.000 0.471 389 A N 1.656 124.527 122.820 0.085 0.000 2.015 389 A HA 0.133 4.453 4.320 0.000 0.000 0.219 389 A C 2.319 179.935 177.584 0.053 0.000 1.163 389 A CA 1.657 53.736 52.037 0.070 0.000 0.646 389 A CB -1.370 17.663 19.000 0.056 0.000 0.806 389 A HN 0.699 nan 8.150 nan 0.000 0.448 390 G N 0.641 109.467 108.800 0.043 0.000 2.599 390 G HA2 -0.357 3.603 3.960 0.000 0.000 0.219 390 G HA3 -0.357 3.603 3.960 0.000 0.000 0.219 390 G C 1.933 176.831 174.900 -0.004 0.000 1.193 390 G CA 2.027 47.138 45.100 0.018 0.000 0.778 390 G HN 0.958 nan 8.290 nan 0.000 0.589 391 S N -0.003 115.700 115.700 0.006 0.000 2.489 391 S HA 0.118 4.588 4.470 0.000 0.000 0.228 391 S C 2.150 176.755 174.600 0.009 0.000 0.995 391 S CA 0.944 59.103 58.200 -0.068 0.000 0.934 391 S CB -0.037 63.139 63.200 -0.041 0.000 0.771 391 S HN 0.218 nan 8.310 nan 0.000 0.522 392 L N 2.334 123.623 121.223 0.110 0.000 2.093 392 L HA 0.111 4.451 4.340 0.000 0.000 0.208 392 L C 2.382 179.315 176.870 0.105 0.000 1.085 392 L CA 1.866 56.800 54.840 0.157 0.000 0.755 392 L CB -0.723 41.404 42.059 0.114 0.000 0.904 392 L HN 0.389 nan 8.230 nan 0.000 0.435 393 K N -0.968 119.462 120.400 0.049 0.000 2.097 393 K HA -0.201 4.119 4.320 0.000 0.000 0.206 393 K C 2.058 178.667 176.600 0.015 0.000 1.049 393 K CA 1.620 57.928 56.287 0.035 0.000 0.933 393 K CB -0.227 32.283 32.500 0.017 0.000 0.717 393 K HN 0.324 nan 8.250 nan 0.000 0.442 394 L N 0.574 121.765 121.223 -0.053 0.000 1.993 394 L HA -0.027 4.313 4.340 0.000 0.000 0.206 394 L C 1.907 178.735 176.870 -0.069 0.000 1.074 394 L CA 1.632 56.395 54.840 -0.128 0.000 0.746 394 L CB -0.750 41.132 42.059 -0.296 0.000 0.896 394 L HN 0.109 nan 8.230 nan 0.000 0.435 395 F N -0.315 119.643 119.950 0.013 0.000 2.147 395 F HA -0.260 4.267 4.527 0.000 0.000 0.301 395 F C 2.337 178.168 175.800 0.051 0.000 1.084 395 F CA 1.533 59.541 58.000 0.012 0.000 1.268 395 F CB -0.884 38.102 39.000 -0.024 0.000 1.009 395 F HN 0.076 nan 8.300 nan 0.000 0.486 396 L N -1.359 120.003 121.223 0.232 0.000 2.179 396 L HA -0.065 4.275 4.340 0.000 0.000 0.208 396 L C 2.615 179.609 176.870 0.208 0.000 1.096 396 L CA 0.787 55.758 54.840 0.219 0.000 0.779 396 L CB -0.846 41.306 42.059 0.155 0.000 0.922 396 L HN 0.107 nan 8.230 nan 0.000 0.443 397 A N -0.020 122.877 122.820 0.128 0.000 1.858 397 A HA -0.254 4.066 4.320 0.000 0.000 0.216 397 A C 2.179 179.817 177.584 0.091 0.000 1.190 397 A CA 1.533 53.622 52.037 0.086 0.000 0.617 397 A CB -0.505 18.519 19.000 0.041 0.000 0.827 397 A HN 0.445 nan 8.150 nan 0.000 0.443 398 Q N -2.177 117.682 119.800 0.099 0.000 2.226 398 Q HA -0.191 4.149 4.340 0.000 0.000 0.204 398 Q C 1.870 177.955 176.000 0.141 0.000 0.975 398 Q CA 1.646 57.507 55.803 0.096 0.000 0.866 398 Q CB -0.312 28.482 28.738 0.093 0.000 0.915 398 Q HN 0.852 nan 8.270 nan 0.000 0.440 399 Y N 0.878 121.216 120.300 0.063 0.000 2.337 399 Y HA -0.045 4.505 4.550 0.000 0.000 0.293 399 Y C 1.944 177.876 175.900 0.055 0.000 1.123 399 Y CA 1.090 59.224 58.100 0.056 0.000 1.201 399 Y CB 0.153 38.648 38.460 0.059 0.000 1.011 399 Y HN -0.140 nan 8.280 nan 0.000 0.545 400 R N 0.184 120.674 120.500 -0.017 0.000 2.092 400 R HA -0.117 4.223 4.340 0.000 0.000 0.231 400 R C 2.031 178.283 176.300 -0.081 0.000 1.119 400 R CA 1.681 57.722 56.100 -0.099 0.000 0.970 400 R CB -0.109 30.198 30.300 0.011 0.000 0.864 400 R HN 0.485 nan 8.270 nan 0.000 0.440 401 E N -0.232 119.956 120.200 -0.019 0.000 2.150 401 E HA -0.104 4.246 4.350 0.000 0.000 0.193 401 E C 1.327 177.960 176.600 0.055 0.000 0.985 401 E CA 1.012 57.422 56.400 0.017 0.000 0.814 401 E CB 0.277 29.996 29.700 0.032 0.000 0.752 401 E HN 0.098 nan 8.360 nan 0.000 0.466 402 V N 0.679 120.607 119.914 0.023 0.000 3.596 402 V HA 0.130 4.250 4.120 0.000 0.000 0.289 402 V C 1.808 177.951 176.094 0.082 0.000 1.336 402 V CA 0.655 63.021 62.300 0.111 0.000 1.137 402 V CB 0.056 31.854 31.823 -0.042 0.000 0.966 402 V HN 0.225 nan 8.190 nan 0.000 0.428 403 A N 1.260 124.005 122.820 -0.125 0.000 1.917 403 A HA -0.200 4.120 4.320 0.000 0.000 0.219 403 A C 2.413 179.958 177.584 -0.064 0.000 1.182 403 A CA 2.195 54.084 52.037 -0.247 0.000 0.633 403 A CB -0.591 18.221 19.000 -0.313 0.000 0.819 403 A HN 0.623 nan 8.150 nan 0.000 0.448 404 A N -1.636 121.172 122.820 -0.020 0.000 2.070 404 A HA 0.010 4.330 4.320 0.000 0.000 0.220 404 A C 1.713 179.251 177.584 -0.076 0.000 1.159 404 A CA 1.159 53.156 52.037 -0.067 0.000 0.656 404 A CB -0.777 18.145 19.000 -0.130 0.000 0.800 404 A HN 0.478 nan 8.150 nan 0.000 0.453 405 F N -0.024 119.899 119.950 -0.047 0.000 2.722 405 F HA 0.046 4.573 4.527 0.000 0.000 0.298 405 F C 2.252 178.044 175.800 -0.014 0.000 1.175 405 F CA 0.514 58.499 58.000 -0.025 0.000 1.462 405 F CB -0.100 38.889 39.000 -0.018 0.000 1.111 405 F HN 0.263 nan 8.300 nan 0.000 0.592 406 A N -0.783 122.108 122.820 0.119 0.000 2.264 406 A HA 0.043 4.363 4.320 0.000 0.000 0.207 406 A C 0.652 178.266 177.584 0.050 0.000 1.196 406 A CA 0.651 52.738 52.037 0.083 0.000 0.778 406 A CB -0.502 18.536 19.000 0.062 0.000 0.779 406 A HN 0.382 nan 8.150 nan 0.000 0.483 412 L N 1.863 123.118 121.223 0.053 0.000 2.436 412 L HA 0.491 4.831 4.340 0.000 0.000 0.268 412 L C 0.198 177.073 176.870 0.008 0.000 0.974 412 L CA -1.161 53.708 54.840 0.049 0.000 0.826 412 L CB 1.992 44.089 42.059 0.062 0.000 1.291 412 L HN 0.206 nan 8.230 nan 0.000 0.406 413 D N 2.172 122.564 120.400 -0.014 0.000 2.393 413 D HA 0.111 4.751 4.640 0.000 0.000 0.246 413 D C 1.048 177.328 176.300 -0.035 0.000 1.275 413 D CA 0.022 54.007 54.000 -0.025 0.000 0.979 413 D CB 1.156 41.937 40.800 -0.033 0.000 1.101 413 D HN 0.540 nan 8.370 nan 0.000 0.505 414 A N 0.659 123.460 122.820 -0.031 0.000 1.873 414 A HA -0.244 4.076 4.320 0.000 0.000 0.218 414 A C 2.361 179.922 177.584 -0.038 0.000 1.193 414 A CA 3.340 55.359 52.037 -0.031 0.000 0.629 414 A CB -1.269 17.716 19.000 -0.026 0.000 0.826 414 A HN 0.727 nan 8.150 nan 0.000 0.447 415 S N -0.319 115.354 115.700 -0.045 0.000 2.355 415 S HA -0.172 4.298 4.470 0.000 0.000 0.222 415 S C 1.941 176.507 174.600 -0.057 0.000 1.031 415 S CA 2.109 60.282 58.200 -0.044 0.000 0.993 415 S CB -1.504 61.669 63.200 -0.045 0.000 0.859 415 S HN 0.754 nan 8.310 nan 0.000 0.453 416 T N -0.202 114.291 114.554 -0.101 0.000 2.995 416 T HA 0.121 4.471 4.350 0.000 0.000 0.269 416 T C 1.690 176.350 174.700 -0.067 0.000 1.091 416 T CA 1.068 63.084 62.100 -0.140 0.000 1.128 416 T CB -0.313 68.359 68.868 -0.327 0.000 0.891 416 T HN 0.472 nan 8.240 nan 0.000 0.492 417 K N 0.594 120.967 120.400 -0.045 0.000 2.103 417 K HA -0.105 4.215 4.320 0.000 0.000 0.204 417 K C 2.564 179.154 176.600 -0.017 0.000 1.052 417 K CA 1.062 57.340 56.287 -0.016 0.000 0.945 417 K CB -0.093 32.397 32.500 -0.017 0.000 0.722 417 K HN 0.213 nan 8.250 nan 0.000 0.443 418 Q N 0.448 120.231 119.800 -0.030 0.000 2.079 418 Q HA -0.081 4.259 4.340 0.000 0.000 0.200 418 Q C 1.600 177.579 176.000 -0.035 0.000 0.974 418 Q CA 2.220 57.996 55.803 -0.045 0.000 0.840 418 Q CB -0.463 28.247 28.738 -0.047 0.000 0.898 418 Q HN 0.264 nan 8.270 nan 0.000 0.430 419 T N 0.847 115.407 114.554 0.009 0.000 2.833 419 T HA -0.093 4.257 4.350 0.000 0.000 0.269 419 T C 1.673 176.452 174.700 0.132 0.000 1.054 419 T CA 1.212 63.356 62.100 0.073 0.000 1.135 419 T CB -0.153 68.769 68.868 0.090 0.000 0.869 419 T HN 0.208 nan 8.240 nan 0.000 0.466 420 L N 0.393 121.687 121.223 0.118 0.000 2.072 420 L HA -0.030 4.310 4.340 0.000 0.000 0.205 420 L C 2.662 179.553 176.870 0.036 0.000 1.079 420 L CA 0.699 55.649 54.840 0.184 0.000 0.752 420 L CB -0.531 41.615 42.059 0.145 0.000 0.906 420 L HN 0.134 nan 8.230 nan 0.000 0.436 421 V N -0.300 119.595 119.914 -0.032 0.000 2.255 421 V HA -0.270 3.850 4.120 0.000 0.000 0.247 421 V C 2.728 178.719 176.094 -0.173 0.000 1.051 421 V CA 1.622 63.866 62.300 -0.094 0.000 1.018 421 V CB -0.642 31.122 31.823 -0.097 0.000 0.641 421 V HN 0.403 nan 8.190 nan 0.000 0.445 422 R N 0.341 120.714 120.500 -0.212 0.000 2.070 422 R HA -0.110 4.230 4.340 0.000 0.000 0.233 422 R C 2.527 178.613 176.300 -0.356 0.000 1.137 422 R CA 1.696 57.612 56.100 -0.306 0.000 0.945 422 R CB -1.424 28.627 30.300 -0.414 0.000 0.845 422 R HN 0.574 nan 8.270 nan 0.000 0.430 423 G N 1.238 109.770 108.800 -0.447 0.000 2.476 423 G HA2 -0.301 3.659 3.960 0.000 0.000 0.218 423 G HA3 -0.301 3.659 3.960 0.000 0.000 0.218 423 G C 1.341 175.613 174.900 -1.046 0.000 1.164 423 G CA 0.956 45.427 45.100 -1.048 0.000 0.768 423 G HN 0.404 nan 8.290 nan 0.000 0.560 424 E N -0.082 119.732 120.200 -0.643 0.000 2.077 424 E HA -0.092 4.258 4.350 0.000 0.000 0.193 424 E C 2.835 179.303 176.600 -0.219 0.000 0.989 424 E CA 0.745 56.964 56.400 -0.302 0.000 0.800 424 E CB -0.070 29.564 29.700 -0.109 0.000 0.746 424 E HN 0.372 nan 8.360 nan 0.000 0.452 425 R N 0.317 120.686 120.500 -0.218 0.000 2.073 425 R HA -0.047 4.293 4.340 0.000 0.000 0.229 425 R C 2.526 178.738 176.300 -0.147 0.000 1.120 425 R CA 0.805 56.806 56.100 -0.166 0.000 0.967 425 R CB -0.312 29.881 30.300 -0.178 0.000 0.862 425 R HN 0.145 nan 8.270 nan 0.000 0.436 426 L N 0.128 121.240 121.223 -0.184 0.000 2.043 426 L HA -0.221 4.119 4.340 0.000 0.000 0.212 426 L C 2.346 179.161 176.870 -0.093 0.000 1.075 426 L CA 1.475 56.239 54.840 -0.127 0.000 0.752 426 L CB -0.784 41.196 42.059 -0.132 0.000 0.891 426 L HN 0.247 nan 8.230 nan 0.000 0.432 427 T N -1.354 113.118 114.554 -0.138 0.000 2.708 427 T HA -0.275 4.075 4.350 0.000 0.000 0.266 427 T C 1.876 176.553 174.700 -0.039 0.000 1.037 427 T CA 1.506 63.564 62.100 -0.070 0.000 1.146 427 T CB -0.143 68.685 68.868 -0.067 0.000 0.865 427 T HN 0.214 nan 8.240 nan 0.000 0.435 428 Q N 0.522 120.292 119.800 -0.051 0.000 2.124 428 Q HA 0.067 4.407 4.340 0.000 0.000 0.202 428 Q C 2.072 178.068 176.000 -0.005 0.000 0.977 428 Q CA 1.193 56.980 55.803 -0.027 0.000 0.850 428 Q CB -0.560 28.157 28.738 -0.034 0.000 0.901 428 Q HN 0.477 nan 8.270 nan 0.000 0.429 429 L N -0.441 120.780 121.223 -0.004 0.000 2.191 429 L HA -0.140 4.200 4.340 0.000 0.000 0.212 429 L C 1.554 178.442 176.870 0.030 0.000 1.103 429 L CA 0.760 55.618 54.840 0.030 0.000 0.769 429 L CB -0.091 41.987 42.059 0.032 0.000 0.908 429 L HN 0.323 nan 8.230 nan 0.000 0.438 430 L N -1.153 120.079 121.223 0.014 0.000 2.567 430 L HA 0.017 4.357 4.340 0.000 0.000 0.225 430 L C 0.827 177.701 176.870 0.008 0.000 1.119 430 L CA -0.024 54.826 54.840 0.018 0.000 0.871 430 L CB -0.208 41.862 42.059 0.019 0.000 1.036 430 L HN 0.044 nan 8.230 nan 0.000 0.459 431 K N 1.740 122.139 120.400 -0.001 0.000 2.448 431 K HA 0.100 4.420 4.320 0.000 0.000 0.278 431 K C -0.093 176.503 176.600 -0.007 0.000 1.009 431 K CA 0.543 56.820 56.287 -0.016 0.000 0.995 431 K CB 0.485 32.971 32.500 -0.024 0.000 0.917 431 K HN 0.030 nan 8.250 nan 0.000 0.481 432 Q N 2.457 122.245 119.800 -0.020 0.000 2.284 432 Q HA 0.181 4.521 4.340 0.000 0.000 0.269 432 Q C -1.332 174.650 176.000 -0.030 0.000 1.026 432 Q CA -0.842 54.954 55.803 -0.012 0.000 0.831 432 Q CB 1.333 30.068 28.738 -0.005 0.000 1.322 432 Q HN 0.477 nan 8.270 nan 0.000 0.419 433 N N 2.316 121.005 118.700 -0.018 0.000 2.479 433 N HA 0.032 4.772 4.740 0.000 0.000 0.257 433 N C -0.622 174.852 175.510 -0.059 0.000 1.232 433 N CA 0.037 53.072 53.050 -0.025 0.000 0.920 433 N CB 0.826 39.320 38.487 0.012 0.000 1.105 433 N HN 0.584 nan 8.380 nan 0.000 0.444 434 Q N 0.734 120.455 119.800 -0.132 0.000 2.421 434 Q HA -0.042 4.298 4.340 0.000 0.000 0.255 434 Q C -0.319 175.523 176.000 -0.262 0.000 1.013 434 Q CA -0.020 55.573 55.803 -0.350 0.000 0.895 434 Q CB 0.204 28.556 28.738 -0.643 0.000 1.271 434 Q HN 0.605 nan 8.270 nan 0.000 0.460 435 Y N -0.336 119.953 120.300 -0.019 0.000 4.324 435 Y HA -0.266 4.284 4.550 0.000 0.000 0.224 435 Y C -0.105 175.805 175.900 0.017 0.000 1.113 435 Y CA 0.885 58.951 58.100 -0.057 0.000 1.887 435 Y CB -2.312 36.106 38.460 -0.070 0.000 1.602 435 Y HN 0.384 nan 8.280 nan 0.000 0.654 436 S N 0.314 116.072 115.700 0.097 0.000 2.272 436 S HA 0.281 4.751 4.470 0.000 0.000 0.207 436 S C -2.239 172.389 174.600 0.047 0.000 1.336 436 S CA -0.930 57.321 58.200 0.085 0.000 1.259 436 S CB 0.950 64.192 63.200 0.071 0.000 1.130 436 S HN 0.136 nan 8.310 nan 0.000 0.444 437 P HA 0.226 nan 4.420 nan 0.000 0.269 437 P C -0.696 176.620 177.300 0.026 0.000 1.209 437 P CA -0.260 62.861 63.100 0.035 0.000 0.776 437 P CB 0.876 32.603 31.700 0.046 0.000 0.876 438 L N 1.365 122.603 121.223 0.025 0.000 2.334 438 L HA 0.577 4.917 4.340 0.000 0.000 0.276 438 L C 0.790 177.669 176.870 0.015 0.000 1.014 438 L CA -1.219 53.628 54.840 0.011 0.000 0.815 438 L CB 1.729 43.797 42.059 0.014 0.000 1.268 438 L HN 0.395 nan 8.230 nan 0.000 0.428 439 A N 1.493 124.304 122.820 -0.015 0.000 2.425 439 A HA 0.242 4.562 4.320 0.000 0.000 0.242 439 A C 1.204 178.801 177.584 0.022 0.000 1.077 439 A CA -0.078 51.952 52.037 -0.011 0.000 0.781 439 A CB 0.353 19.311 19.000 -0.069 0.000 1.020 439 A HN 0.876 nan 8.150 nan 0.000 0.494 440 T N 1.210 115.800 114.554 0.060 0.000 2.699 440 T HA -0.174 4.176 4.350 0.000 0.000 0.268 440 T C 1.481 176.195 174.700 0.024 0.000 1.036 440 T CA 2.369 64.502 62.100 0.055 0.000 1.147 440 T CB -0.386 68.528 68.868 0.076 0.000 0.862 440 T HN 0.854 nan 8.240 nan 0.000 0.446 441 E N 1.234 121.436 120.200 0.003 0.000 2.204 441 E HA -0.123 4.227 4.350 0.000 0.000 0.195 441 E C 2.036 178.607 176.600 -0.049 0.000 0.990 441 E CA 0.964 57.347 56.400 -0.028 0.000 0.821 441 E CB -0.183 29.490 29.700 -0.045 0.000 0.750 441 E HN 0.589 nan 8.360 nan 0.000 0.477 442 E N 0.682 120.856 120.200 -0.042 0.000 2.250 442 E HA -0.072 4.278 4.350 0.000 0.000 0.192 442 E C 1.959 178.555 176.600 -0.007 0.000 0.986 442 E CA 0.400 56.768 56.400 -0.053 0.000 0.849 442 E CB 0.131 29.798 29.700 -0.054 0.000 0.797 442 E HN 0.316 nan 8.360 nan 0.000 0.482 443 Q N 0.315 120.127 119.800 0.019 0.000 2.163 443 Q HA -0.086 4.254 4.340 0.000 0.000 0.198 443 Q C 2.576 178.621 176.000 0.075 0.000 0.954 443 Q CA 1.309 57.142 55.803 0.050 0.000 0.851 443 Q CB 0.043 28.811 28.738 0.050 0.000 0.928 443 Q HN 0.268 nan 8.270 nan 0.000 0.459 444 V N -0.986 118.966 119.914 0.063 0.000 2.295 444 V HA -0.088 4.032 4.120 0.000 0.000 0.246 444 V C -0.970 175.214 176.094 0.150 0.000 1.049 444 V CA 1.153 63.508 62.300 0.092 0.000 1.024 444 V CB -1.805 30.053 31.823 0.058 0.000 0.648 444 V HN 0.135 nan 8.190 nan 0.000 0.447 445 P HA -0.037 nan 4.420 nan 0.000 0.217 445 P C 2.092 179.647 177.300 0.424 0.000 1.150 445 P CA 1.471 64.717 63.100 0.242 0.000 0.832 445 P CB -0.140 31.602 31.700 0.070 0.000 0.787 446 L N -1.460 119.953 121.223 0.318 0.000 2.046 446 L HA -0.161 4.179 4.340 0.000 0.000 0.208 446 L C 2.411 179.418 176.870 0.229 0.000 1.077 446 L CA 1.475 56.495 54.840 0.301 0.000 0.747 446 L CB -0.796 41.388 42.059 0.207 0.000 0.896 446 L HN -0.079 nan 8.230 nan 0.000 0.432 447 I N -1.746 118.940 120.570 0.193 0.000 2.286 447 I HA -0.299 3.871 4.170 0.000 0.000 0.245 447 I C 2.520 178.741 176.117 0.174 0.000 1.104 447 I CA 1.042 62.433 61.300 0.152 0.000 1.397 447 I CB -0.303 37.774 38.000 0.127 0.000 1.072 447 I HN 0.135 nan 8.210 nan 0.000 0.417 448 Y N 1.907 122.278 120.300 0.118 0.000 2.069 448 Y HA -0.405 4.145 4.550 0.000 0.000 0.278 448 Y C 2.525 178.516 175.900 0.151 0.000 1.175 448 Y CA 1.759 59.935 58.100 0.127 0.000 1.134 448 Y CB -0.540 37.996 38.460 0.125 0.000 0.965 448 Y HN 0.153 nan 8.280 nan 0.000 0.498 449 A N 0.197 123.173 122.820 0.259 0.000 1.859 449 A HA -0.195 4.125 4.320 0.000 0.000 0.217 449 A C 2.541 180.144 177.584 0.032 0.000 1.198 449 A CA 2.230 54.368 52.037 0.169 0.000 0.629 449 A CB -1.834 17.263 19.000 0.163 0.000 0.830 449 A HN 0.643 nan 8.150 nan 0.000 0.446 450 G N -0.757 108.047 108.800 0.007 0.000 2.480 450 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 450 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 450 G C 1.517 176.310 174.900 -0.179 0.000 1.200 450 G CA 1.432 46.480 45.100 -0.088 0.000 0.782 450 G HN 0.386 nan 8.290 nan 0.000 0.554 451 V N 1.390 121.224 119.914 -0.133 0.000 2.490 451 V HA -0.136 3.984 4.120 0.000 0.000 0.250 451 V C 2.173 178.118 176.094 -0.247 0.000 1.061 451 V CA 1.628 63.836 62.300 -0.154 0.000 1.064 451 V CB -0.360 31.481 31.823 0.030 0.000 0.670 451 V HN 0.415 nan 8.190 nan 0.000 0.461 452 N N -0.381 118.138 118.700 -0.301 0.000 2.336 452 N HA 0.096 4.836 4.740 0.000 0.000 0.189 452 N C 1.504 176.708 175.510 -0.509 0.000 1.113 452 N CA 0.937 53.758 53.050 -0.381 0.000 0.858 452 N CB 1.123 39.315 38.487 -0.492 0.000 0.970 452 N HN 0.590 nan 8.380 nan 0.000 0.471 453 G N 0.739 109.276 108.800 -0.439 0.000 2.176 453 G HA2 -0.245 3.715 3.960 0.000 0.000 0.232 453 G HA3 -0.245 3.715 3.960 0.000 0.000 0.232 453 G C 0.357 175.024 174.900 -0.389 0.000 0.986 453 G CA -0.040 44.809 45.100 -0.419 0.000 0.643 453 G HN 0.507 nan 8.290 nan 0.000 0.522 454 H N -0.068 118.879 119.070 -0.204 0.000 2.563 454 H HA 0.385 4.941 4.556 0.000 0.000 0.272 454 H C 2.303 177.462 175.328 -0.281 0.000 1.005 454 H CA 0.916 56.851 56.048 -0.188 0.000 1.171 454 H CB 0.118 29.804 29.762 -0.127 0.000 1.351 454 H HN 0.431 nan 8.280 nan 0.000 0.602 455 L N -0.422 120.665 121.223 -0.226 0.000 2.638 455 L HA 0.031 4.371 4.340 0.000 0.000 0.232 455 L C 1.037 177.745 176.870 -0.271 0.000 1.099 455 L CA 0.035 54.678 54.840 -0.329 0.000 0.883 455 L CB 0.375 42.251 42.059 -0.305 0.000 1.136 455 L HN 0.176 nan 8.230 nan 0.000 0.492 456 D N 0.851 121.112 120.400 -0.231 0.000 2.149 456 D HA -0.151 4.489 4.640 0.000 0.000 0.198 456 D C 2.086 178.288 176.300 -0.163 0.000 0.990 456 D CA 1.538 55.421 54.000 -0.195 0.000 0.839 456 D CB -0.153 40.532 40.800 -0.192 0.000 0.948 456 D HN 0.303 nan 8.370 nan 0.000 0.460 457 G N -0.138 108.565 108.800 -0.162 0.000 2.572 457 G HA2 0.006 3.966 3.960 0.000 0.000 0.216 457 G HA3 0.006 3.966 3.960 0.000 0.000 0.216 457 G C 0.736 175.553 174.900 -0.138 0.000 1.133 457 G CA -0.116 44.905 45.100 -0.132 0.000 0.791 457 G HN 0.209 nan 8.290 nan 0.000 0.538 458 I N 1.591 122.050 120.570 -0.185 0.000 2.428 458 I HA 0.180 4.350 4.170 0.000 0.000 0.289 458 I C 0.483 176.517 176.117 -0.138 0.000 1.019 458 I CA -0.735 60.456 61.300 -0.182 0.000 1.351 458 I CB 1.351 39.171 38.000 -0.300 0.000 1.412 458 I HN 0.299 nan 8.210 nan 0.000 0.513 459 E N 5.664 125.807 120.200 -0.094 0.000 2.383 459 E HA 0.008 4.358 4.350 0.000 0.000 0.264 459 E C 0.753 177.316 176.600 -0.061 0.000 1.050 459 E CA -0.632 55.727 56.400 -0.068 0.000 0.896 459 E CB 1.009 30.682 29.700 -0.045 0.000 0.982 459 E HN 0.477 nan 8.360 nan 0.000 0.424 460 L N 3.382 124.573 121.223 -0.052 0.000 2.089 460 L HA -0.256 4.084 4.340 0.000 0.000 0.213 460 L C 2.304 179.159 176.870 -0.025 0.000 1.079 460 L CA 2.614 57.428 54.840 -0.045 0.000 0.758 460 L CB -0.730 41.309 42.059 -0.034 0.000 0.891 460 L HN 0.825 nan 8.230 nan 0.000 0.433 461 S N -1.875 113.816 115.700 -0.015 0.000 2.489 461 S HA -0.074 4.396 4.470 0.000 0.000 0.228 461 S C 1.955 176.563 174.600 0.013 0.000 0.995 461 S CA 0.343 58.542 58.200 -0.000 0.000 0.934 461 S CB -0.398 62.802 63.200 0.001 0.000 0.771 461 S HN 0.489 nan 8.310 nan 0.000 0.522 462 R N 0.187 120.694 120.500 0.012 0.000 2.334 462 R HA 0.318 4.658 4.340 0.000 0.000 0.216 462 R C 1.214 177.569 176.300 0.091 0.000 0.905 462 R CA -0.063 56.065 56.100 0.046 0.000 1.064 462 R CB -0.080 30.242 30.300 0.037 0.000 1.046 462 R HN 0.386 nan 8.270 nan 0.000 0.508 463 I N 0.196 120.800 120.570 0.056 0.000 2.264 463 I HA -0.170 4.000 4.170 0.000 0.000 0.248 463 I C 2.300 178.519 176.117 0.171 0.000 1.111 463 I CA 1.527 62.887 61.300 0.100 0.000 1.382 463 I CB -1.461 36.554 38.000 0.025 0.000 1.060 463 I HN 0.202 nan 8.210 nan 0.000 0.418 464 G N 1.638 110.503 108.800 0.108 0.000 2.433 464 G HA2 -0.282 3.678 3.960 0.000 0.000 0.216 464 G HA3 -0.282 3.678 3.960 0.000 0.000 0.216 464 G C 1.506 176.476 174.900 0.117 0.000 1.186 464 G CA 0.931 46.089 45.100 0.095 0.000 0.779 464 G HN 0.633 nan 8.290 nan 0.000 0.543 465 E N -0.611 119.663 120.200 0.124 0.000 2.204 465 E HA -0.117 4.233 4.350 0.000 0.000 0.194 465 E C 2.102 178.817 176.600 0.192 0.000 0.989 465 E CA 0.712 57.190 56.400 0.131 0.000 0.824 465 E CB -0.438 29.329 29.700 0.112 0.000 0.756 465 E HN 0.400 nan 8.360 nan 0.000 0.477 466 F N 2.263 122.278 119.950 0.109 0.000 2.134 466 F HA -0.121 4.406 4.527 0.000 0.000 0.299 466 F C 2.257 178.165 175.800 0.179 0.000 1.097 466 F CA 1.998 60.101 58.000 0.171 0.000 1.264 466 F CB -0.137 38.927 39.000 0.107 0.000 1.001 466 F HN 0.065 nan 8.300 nan 0.000 0.479 467 E N -0.349 119.922 120.200 0.120 0.000 2.058 467 E HA -0.206 4.144 4.350 0.000 0.000 0.194 467 E C 2.276 178.858 176.600 -0.031 0.000 0.997 467 E CA 1.626 58.051 56.400 0.041 0.000 0.801 467 E CB -0.286 29.477 29.700 0.105 0.000 0.746 467 E HN 0.418 nan 8.360 nan 0.000 0.450 468 S N 0.230 115.933 115.700 0.006 0.000 2.351 468 S HA -0.142 4.328 4.470 0.000 0.000 0.220 468 S C 2.151 176.735 174.600 -0.025 0.000 1.035 468 S CA 1.389 59.587 58.200 -0.003 0.000 1.031 468 S CB -0.254 62.965 63.200 0.031 0.000 0.928 468 S HN 0.267 nan 8.310 nan 0.000 0.433 469 S N 0.987 116.702 115.700 0.025 0.000 2.382 469 S HA -0.058 4.412 4.470 0.000 0.000 0.228 469 S C 1.541 176.042 174.600 -0.165 0.000 1.027 469 S CA 0.999 59.260 58.200 0.102 0.000 0.991 469 S CB -0.421 63.001 63.200 0.370 0.000 0.823 469 S HN 0.509 nan 8.310 nan 0.000 0.469 470 F N 2.301 121.798 119.950 -0.754 0.000 2.146 470 F HA 0.054 4.581 4.527 0.000 0.000 0.298 470 F C 1.769 177.245 175.800 -0.539 0.000 1.096 470 F CA 0.828 58.089 58.000 -1.231 0.000 1.275 470 F CB -0.581 37.636 39.000 -1.305 0.000 1.008 470 F HN 0.095 nan 8.300 nan 0.000 0.480 471 L N -0.271 120.717 121.223 -0.392 0.000 2.056 471 L HA -0.210 4.130 4.340 0.000 0.000 0.207 471 L C 2.625 179.337 176.870 -0.264 0.000 1.078 471 L CA 1.613 56.244 54.840 -0.349 0.000 0.749 471 L CB -0.925 41.018 42.059 -0.193 0.000 0.901 471 L HN 0.269 nan 8.230 nan 0.000 0.433 472 S N -1.412 114.189 115.700 -0.164 0.000 2.436 472 S HA -0.210 4.260 4.470 0.000 0.000 0.228 472 S C 1.965 176.523 174.600 -0.070 0.000 1.014 472 S CA 0.390 58.531 58.200 -0.098 0.000 0.950 472 S CB -0.681 62.498 63.200 -0.034 0.000 0.784 472 S HN 0.472 nan 8.310 nan 0.000 0.504 473 Y N 2.409 122.592 120.300 -0.196 0.000 2.224 473 Y HA 0.065 4.615 4.550 0.000 0.000 0.289 473 Y C 1.821 177.633 175.900 -0.146 0.000 1.146 473 Y CA 1.204 59.235 58.100 -0.115 0.000 1.182 473 Y CB -0.398 37.996 38.460 -0.110 0.000 0.983 473 Y HN 0.214 nan 8.280 nan 0.000 0.524 474 L N -0.021 120.958 121.223 -0.406 0.000 2.072 474 L HA -0.170 4.170 4.340 0.000 0.000 0.205 474 L C 2.397 179.083 176.870 -0.308 0.000 1.079 474 L CA 1.485 56.066 54.840 -0.431 0.000 0.752 474 L CB -0.449 41.288 42.059 -0.536 0.000 0.906 474 L HN 0.075 nan 8.230 nan 0.000 0.436 475 K N -0.555 119.693 120.400 -0.253 0.000 2.211 475 K HA -0.087 4.233 4.320 0.000 0.000 0.203 475 K C 2.240 178.735 176.600 -0.176 0.000 1.050 475 K CA 1.278 57.453 56.287 -0.186 0.000 0.945 475 K CB 0.000 32.412 32.500 -0.147 0.000 0.732 475 K HN 0.169 nan 8.250 nan 0.000 0.451 476 S N 0.778 116.359 115.700 -0.198 0.000 2.362 476 S HA 0.007 4.477 4.470 0.000 0.000 0.221 476 S C 1.415 175.866 174.600 -0.250 0.000 1.032 476 S CA 0.886 58.978 58.200 -0.180 0.000 0.973 476 S CB 0.004 63.127 63.200 -0.129 0.000 0.849 476 S HN 0.331 nan 8.310 nan 0.000 0.465 477 N N -0.271 118.184 118.700 -0.407 0.000 2.397 477 N HA 0.084 4.824 4.740 0.000 0.000 0.190 477 N C -0.095 174.995 175.510 -0.700 0.000 1.099 477 N CA 0.515 53.222 53.050 -0.572 0.000 0.876 477 N CB 0.311 38.320 38.487 -0.796 0.000 1.143 477 N HN 0.370 nan 8.380 nan 0.000 0.468 478 H N 0.006 118.879 119.070 -0.328 0.000 2.587 478 H HA 0.229 4.785 4.556 0.000 0.000 0.245 478 H C 0.445 175.647 175.328 -0.210 0.000 1.238 478 H CA -0.223 55.678 56.048 -0.245 0.000 0.963 478 H CB 0.320 29.923 29.762 -0.265 0.000 1.904 478 H HN 0.123 nan 8.280 nan 0.000 0.584 479 N N 1.197 119.822 118.700 -0.125 0.000 2.244 479 N HA -0.124 4.616 4.740 0.000 0.000 0.183 479 N C 1.616 177.077 175.510 -0.082 0.000 1.016 479 N CA 1.055 54.037 53.050 -0.113 0.000 0.866 479 N CB 0.416 38.833 38.487 -0.117 0.000 0.980 479 N HN 0.443 nan 8.380 nan 0.000 0.430 480 E N 0.070 120.231 120.200 -0.066 0.000 2.085 480 E HA -0.183 4.167 4.350 0.000 0.000 0.194 480 E C 1.881 178.454 176.600 -0.044 0.000 0.994 480 E CA 1.091 57.462 56.400 -0.049 0.000 0.801 480 E CB -0.223 29.454 29.700 -0.037 0.000 0.743 480 E HN 0.484 nan 8.360 nan 0.000 0.453 481 L N 0.699 121.897 121.223 -0.040 0.000 2.056 481 L HA -0.148 4.192 4.340 0.000 0.000 0.207 481 L C 2.577 179.403 176.870 -0.072 0.000 1.078 481 L CA 0.788 55.594 54.840 -0.056 0.000 0.749 481 L CB -0.576 41.442 42.059 -0.070 0.000 0.901 481 L HN 0.131 nan 8.230 nan 0.000 0.433 482 L N -0.353 120.818 121.223 -0.086 0.000 2.131 482 L HA -0.168 4.172 4.340 0.000 0.000 0.210 482 L C 2.601 179.428 176.870 -0.070 0.000 1.092 482 L CA 1.416 56.200 54.840 -0.093 0.000 0.759 482 L CB -0.895 41.094 42.059 -0.117 0.000 0.903 482 L HN 0.331 nan 8.230 nan 0.000 0.435 483 T N -1.222 113.294 114.554 -0.063 0.000 2.812 483 T HA -0.193 4.157 4.350 0.000 0.000 0.264 483 T C 1.776 176.453 174.700 -0.037 0.000 1.042 483 T CA 1.154 63.224 62.100 -0.050 0.000 1.140 483 T CB -0.010 68.829 68.868 -0.049 0.000 0.870 483 T HN 0.342 nan 8.240 nan 0.000 0.445 484 E N 0.640 120.817 120.200 -0.038 0.000 2.110 484 E HA -0.087 4.263 4.350 0.000 0.000 0.193 484 E C 2.074 178.658 176.600 -0.026 0.000 0.988 484 E CA 0.815 57.197 56.400 -0.029 0.000 0.804 484 E CB -0.216 29.466 29.700 -0.031 0.000 0.745 484 E HN 0.472 nan 8.360 nan 0.000 0.458 485 I N 0.562 121.112 120.570 -0.034 0.000 2.163 485 I HA -0.294 3.876 4.170 0.000 0.000 0.243 485 I C 2.844 178.955 176.117 -0.011 0.000 1.085 485 I CA 1.274 62.558 61.300 -0.027 0.000 1.347 485 I CB -0.297 37.681 38.000 -0.037 0.000 1.044 485 I HN 0.109 nan 8.210 nan 0.000 0.408 486 R N 0.949 121.441 120.500 -0.013 0.000 2.073 486 R HA -0.182 4.158 4.340 0.000 0.000 0.234 486 R C 2.151 178.461 176.300 0.017 0.000 1.134 486 R CA 1.748 57.851 56.100 0.006 0.000 0.952 486 R CB -0.058 30.234 30.300 -0.013 0.000 0.850 486 R HN 0.393 nan 8.270 nan 0.000 0.433 487 E N -0.179 120.023 120.200 0.002 0.000 2.051 487 E HA -0.100 4.251 4.350 0.000 0.000 0.189 487 E C 1.930 178.533 176.600 0.005 0.000 0.979 487 E CA 0.949 57.353 56.400 0.006 0.000 0.803 487 E CB 0.197 29.895 29.700 -0.004 0.000 0.761 487 E HN 0.287 nan 8.360 nan 0.000 0.451 488 K N -0.475 119.924 120.400 -0.001 0.000 2.305 488 K HA 0.031 4.351 4.320 0.000 0.000 0.199 488 K C 1.302 177.902 176.600 -0.001 0.000 1.047 488 K CA 0.608 56.894 56.287 -0.002 0.000 0.976 488 K CB 0.381 32.877 32.500 -0.006 0.000 0.765 488 K HN 0.251 nan 8.250 nan 0.000 0.474 489 G N 2.072 110.873 108.800 0.002 0.000 2.186 489 G HA2 -0.301 3.659 3.960 0.000 0.000 0.266 489 G HA3 -0.301 3.659 3.960 0.000 0.000 0.266 489 G C -0.115 174.786 174.900 0.001 0.000 0.982 489 G CA 1.036 46.138 45.100 0.003 0.000 0.670 489 G HN 0.433 nan 8.290 nan 0.000 0.533 490 E N -1.564 118.635 120.200 -0.001 0.000 2.440 490 E HA 0.768 5.118 4.350 0.000 0.000 0.263 490 E C -0.601 175.997 176.600 -0.004 0.000 0.938 490 E CA -1.113 55.288 56.400 0.002 0.000 0.831 490 E CB 1.435 31.137 29.700 0.003 0.000 1.456 490 E HN 0.122 nan 8.360 nan 0.000 0.427 491 L N 1.705 122.928 121.223 -0.001 0.000 2.415 491 L HA 0.316 4.656 4.340 0.000 0.000 0.268 491 L C -0.369 176.499 176.870 -0.003 0.000 0.984 491 L CA -0.707 54.127 54.840 -0.010 0.000 0.853 491 L CB 1.615 43.667 42.059 -0.013 0.000 1.215 491 L HN 0.514 nan 8.230 nan 0.000 0.419 492 S N 1.118 116.814 115.700 -0.008 0.000 2.596 492 S HA 0.202 4.672 4.470 0.000 0.000 0.260 492 S C 1.015 175.615 174.600 -0.001 0.000 1.336 492 S CA -0.726 57.473 58.200 -0.002 0.000 0.993 492 S CB 1.379 64.576 63.200 -0.004 0.000 0.923 492 S HN 0.557 nan 8.310 nan 0.000 0.567 493 K N 0.734 121.139 120.400 0.008 0.000 2.113 493 K HA -0.167 4.153 4.320 0.000 0.000 0.208 493 K C 2.031 178.634 176.600 0.005 0.000 1.047 493 K CA 1.753 58.048 56.287 0.014 0.000 0.928 493 K CB -0.239 32.273 32.500 0.020 0.000 0.716 493 K HN 0.577 nan 8.250 nan 0.000 0.446 494 E N 0.726 120.926 120.200 -0.001 0.000 2.058 494 E HA -0.172 4.179 4.350 0.000 0.000 0.194 494 E C 1.857 178.442 176.600 -0.024 0.000 0.997 494 E CA 1.056 57.453 56.400 -0.007 0.000 0.801 494 E CB -0.192 29.505 29.700 -0.005 0.000 0.746 494 E HN 0.178 nan 8.360 nan 0.000 0.450 495 L N -0.032 121.170 121.223 -0.035 0.000 2.012 495 L HA -0.205 4.135 4.340 0.000 0.000 0.210 495 L C 2.299 179.104 176.870 -0.108 0.000 1.073 495 L CA 1.033 55.834 54.840 -0.064 0.000 0.748 495 L CB -0.347 41.676 42.059 -0.060 0.000 0.891 495 L HN 0.174 nan 8.230 nan 0.000 0.431 496 L N -0.800 120.369 121.223 -0.091 0.000 2.079 496 L HA -0.255 4.085 4.340 0.000 0.000 0.210 496 L C 2.748 179.563 176.870 -0.092 0.000 1.081 496 L CA 1.286 56.052 54.840 -0.124 0.000 0.752 496 L CB -0.752 41.308 42.059 0.002 0.000 0.896 496 L HN 0.287 nan 8.230 nan 0.000 0.433 497 A N -1.115 121.688 122.820 -0.029 0.000 1.968 497 A HA -0.139 4.181 4.320 0.000 0.000 0.217 497 A C 2.487 180.056 177.584 -0.026 0.000 1.169 497 A CA 1.763 53.802 52.037 0.003 0.000 0.638 497 A CB -0.405 18.606 19.000 0.018 0.000 0.812 497 A HN 0.357 nan 8.150 nan 0.000 0.446 498 S N -0.525 115.139 115.700 -0.060 0.000 2.383 498 S HA -0.075 4.395 4.470 0.000 0.000 0.227 498 S C 1.805 176.321 174.600 -0.140 0.000 1.026 498 S CA 1.223 59.378 58.200 -0.076 0.000 0.981 498 S CB -0.296 62.863 63.200 -0.068 0.000 0.818 498 S HN 0.408 nan 8.310 nan 0.000 0.472 499 L N 2.146 123.245 121.223 -0.207 0.000 2.027 499 L HA 0.035 4.375 4.340 0.000 0.000 0.206 499 L C 2.219 178.971 176.870 -0.198 0.000 1.074 499 L CA 1.779 56.432 54.840 -0.311 0.000 0.745 499 L CB -0.737 40.944 42.059 -0.629 0.000 0.898 499 L HN 0.153 nan 8.230 nan 0.000 0.433 500 K N -1.225 119.113 120.400 -0.103 0.000 2.034 500 K HA -0.265 4.055 4.320 0.000 0.000 0.214 500 K C 2.372 178.998 176.600 0.044 0.000 1.051 500 K CA 2.063 58.443 56.287 0.155 0.000 0.931 500 K CB -0.409 32.217 32.500 0.209 0.000 0.715 500 K HN 0.375 nan 8.250 nan 0.000 0.446 501 S N -0.420 115.289 115.700 0.015 0.000 2.368 501 S HA -0.135 4.335 4.470 0.000 0.000 0.225 501 S C 1.961 176.574 174.600 0.021 0.000 1.030 501 S CA 1.365 59.580 58.200 0.024 0.000 0.999 501 S CB -0.323 62.891 63.200 0.024 0.000 0.844 501 S HN 0.474 nan 8.310 nan 0.000 0.459 502 A N 0.435 123.215 122.820 -0.067 0.000 1.929 502 A HA 0.011 4.331 4.320 0.000 0.000 0.216 502 A C 2.372 180.094 177.584 0.231 0.000 1.176 502 A CA 2.031 54.022 52.037 -0.076 0.000 0.628 502 A CB -1.469 17.215 19.000 -0.528 0.000 0.816 502 A HN 0.592 nan 8.150 nan 0.000 0.444 503 T N 0.017 114.668 114.554 0.161 0.000 2.708 503 T HA -0.154 4.196 4.350 0.000 0.000 0.266 503 T C 1.783 176.470 174.700 -0.022 0.000 1.037 503 T CA 1.740 63.878 62.100 0.063 0.000 1.146 503 T CB -0.273 68.513 68.868 -0.136 0.000 0.865 503 T HN 0.640 nan 8.240 nan 0.000 0.435 504 E N 0.651 120.811 120.200 -0.068 0.000 2.110 504 E HA -0.114 4.236 4.350 0.000 0.000 0.193 504 E C 2.465 179.097 176.600 0.053 0.000 0.988 504 E CA 1.073 57.475 56.400 0.003 0.000 0.804 504 E CB -0.157 29.570 29.700 0.046 0.000 0.745 504 E HN 0.316 nan 8.360 nan 0.000 0.458 505 S N -0.200 115.560 115.700 0.100 0.000 2.368 505 S HA -0.180 4.290 4.470 0.000 0.000 0.225 505 S C 1.682 176.308 174.600 0.043 0.000 1.030 505 S CA 1.054 59.328 58.200 0.124 0.000 0.999 505 S CB -0.229 63.129 63.200 0.262 0.000 0.844 505 S HN 0.351 nan 8.310 nan 0.000 0.459 506 F N 1.653 121.520 119.950 -0.138 0.000 2.234 506 F HA 0.099 4.626 4.527 0.000 0.000 0.296 506 F C 1.982 177.707 175.800 -0.124 0.000 1.089 506 F CA 0.880 58.684 58.000 -0.327 0.000 1.343 506 F CB -0.286 38.491 39.000 -0.371 0.000 1.040 506 F HN 0.036 nan 8.300 nan 0.000 0.498 507 V N 0.604 120.516 119.914 -0.003 0.000 2.490 507 V HA -0.301 3.819 4.120 0.000 0.000 0.250 507 V C 2.710 178.723 176.094 -0.135 0.000 1.061 507 V CA 1.551 63.824 62.300 -0.045 0.000 1.064 507 V CB -1.568 30.261 31.823 0.009 0.000 0.670 507 V HN 0.464 nan 8.190 nan 0.000 0.461 508 A N -0.549 122.201 122.820 -0.116 0.000 1.908 508 A HA -0.135 4.185 4.320 0.000 0.000 0.218 508 A C 1.705 179.194 177.584 -0.160 0.000 1.181 508 A CA 1.913 53.887 52.037 -0.106 0.000 0.627 508 A CB -0.658 18.309 19.000 -0.055 0.000 0.818 508 A HN 0.518 nan 8.150 nan 0.000 0.445 509 T N 0.000 114.392 114.554 -0.270 0.000 3.816 509 T HA 0.000 4.350 4.350 0.000 0.000 0.228 509 T CA 0.000 61.921 62.100 -0.298 0.000 1.349 509 T CB 0.000 68.628 68.868 -0.400 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658